N-[(1S,2S)-2-[[4-(4-acetylphenyl)phenyl]methoxy]cyclopentyl]-2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(1S,2S)-2-[(4-bromophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(1S,2S)-2-[[4-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

C87H98BrN17O7 — CID 157242114

IUPACN-[(1S,2S)-2-[[4-(4-acetylphenyl)phenyl]methoxy]cyclopentyl]-2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(1S,2S)-2-[(4-bromophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(1S,2S)-2-[[4-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
SMILESCC(=O)c1ccc(-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(-c4cnn(C)c4)cnc3N)cc2)cc1.CC(c1ccc(-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(-c4cnn(C)c4)cnc3N)cc2)cc1)N1CCN(C)CC1.Cn1cc(-c2cnc(N)c(C(=O)N[C@H]3CCC[C@@H]3OCc3ccc(Br)cc3)c2)cn1
InChIInChI=1S/C35H43N7O2.C30H31N5O3.C22H24BrN5O2/c1-24(42-17-15-40(2)16-18-42)26-11-13-28(14-12-26)27-9-7-25(8-10-27)23-44-33-6-4-5-32(33)39-35(43)31-19-29(20-37-34(31)36)30-21-38-41(3)22-30;1-19(36)21-10-12-23(13-11-21)22-8-6-20(7-9-22)18-38-28-5-3-4-27(28)34-30(37)26-14-24(15-32-29(26)31)25-16-33-35(2)17-25;1-28-12-16(11-26-28)15-9-18(21(24)25-10-15)22(29)27-19-3-2-4-20(19)30-13-14-5-7-17(23)8-6-14/h7-14,19-22,24,32-33H,4-6,15-18,23H2,1-3H3,(H2,36,37)(H,39,43);6-17,27-28H,3-5,18H2,1-2H3,(H2,31,32)(H,34,37);5-12,19-20H,2-4,13H2,1H3,(H2,24,25)(H,27,29)/t24?,32-,33-;27-,28-;19-,20-/m000/s1
InChIKeyAVIJIPRZQLDMOF-YONNUFPWSA-N
MW1573.76 g/mol
LogP13.40
Rot. Bonds23

About N-[(1S,2S)-2-[[4-(4-acetylphenyl)phenyl]methoxy]cyclopentyl]-2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(1S,2S)-2-[(4-bromophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(1S,2S)-2-[[4-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

N-[(1S,2S)-2-[[4-(4-acetylphenyl)phenyl]methoxy]cyclopentyl]-2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(1S,2S)-2-[(4-bromophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(1S,2S)-2-[[4-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide (PubChem CID 157242114) has the molecular formula C87H98BrN17O7 and a molecular weight of 1573.76 g/mol. Its IUPAC name is N-[(1S,2S)-2-[[4-(4-acetylphenyl)phenyl]methoxy]cyclopentyl]-2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(1S,2S)-2-[(4-bromophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(1S,2S)-2-[[4-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-[[4-(4-acetylphenyl)phenyl]methoxy]cyclopentyl]-2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(1S,2S)-2-[(4-bromophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(1S,2S)-2-[[4-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
PubChem CID157242114
Molecular FormulaC87H98BrN17O7
Molecular Weight1573.76 g/mol
Exact Mass1571.70
IUPAC NameN-[(1S,2S)-2-[[4-(4-acetylphenyl)phenyl]methoxy]cyclopentyl]-2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(1S,2S)-2-[(4-bromophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(1S,2S)-2-[[4-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
SMILESCC(=O)c1ccc(-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(-c4cnn(C)c4)cnc3N)cc2)cc1.CC(c1ccc(-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(-c4cnn(C)c4)cnc3N)cc2)cc1)N1CCN(C)CC1.Cn1cc(-c2cnc(N)c(C(=O)N[C@H]3CCC[C@@H]3OCc3ccc(Br)cc3)c2)cn1
InChIInChI=1S/C35H43N7O2.C30H31N5O3.C22H24BrN5O2/c1-24(42-17-15-40(2)16-18-42)26-11-13-28(14-12-26)27-9-7-25(8-10-27)23-44-33-6-4-5-32(33)39-35(43)31-19-29(20-37-34(31)36)30-21-38-41(3)22-30;1-19(36)21-10-12-23(13-11-21)22-8-6-20(7-9-22)18-38-28-5-3-4-27(28)34-30(37)26-14-24(15-32-29(26)31)25-16-33-35(2)17-25;1-28-12-16(11-26-28)15-9-18(21(24)25-10-15)22(29)27-19-3-2-4-20(19)30-13-14-5-7-17(23)8-6-14/h7-14,19-22,24,32-33H,4-6,15-18,23H2,1-3H3,(H2,36,37)(H,39,43);6-17,27-28H,3-5,18H2,1-2H3,(H2,31,32)(H,34,37);5-12,19-20H,2-4,13H2,1H3,(H2,24,25)(H,27,29)/t24?,32-,33-;27-,28-;19-,20-/m000/s1
InChIKeyAVIJIPRZQLDMOF-YONNUFPWSA-N
XLogP13.40
TPSA308.73 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds23
Heavy Atoms112
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001573.76
LogP ≤ 513.40
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Analyze N-[(1S,2S)-2-[[4-(4-acetylphenyl)phenyl]methoxy]cyclopentyl]-2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(1S,2S)-2-[(4-bromophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(1S,2S)-2-[[4-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-[[4-(4-acetylphenyl)phenyl]methoxy]cyclopentyl]-2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(1S,2S)-2-[(4-bromophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(1S,2S)-2-[[4-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The IUPAC name of N-[(1S,2S)-2-[[4-(4-acetylphenyl)phenyl]methoxy]cyclopentyl]-2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(1S,2S)-2-[(4-bromophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(1S,2S)-2-[[4-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide (CID 157242114) is N-[(1S,2S)-2-[[4-(4-acetylphenyl)phenyl]methoxy]cyclopentyl]-2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(1S,2S)-2-[(4-bromophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(1S,2S)-2-[[4-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-[[4-(4-acetylphenyl)phenyl]methoxy]cyclopentyl]-2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(1S,2S)-2-[(4-bromophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(1S,2S)-2-[[4-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-[[4-(4-acetylphenyl)phenyl]methoxy]cyclopentyl]-2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(1S,2S)-2-[(4-bromophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(1S,2S)-2-[[4-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide is CC(=O)c1ccc(-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(-c4cnn(C)c4)cnc3N)cc2)cc1.CC(c1ccc(-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(-c4cnn(C)c4)cnc3N)cc2)cc1)N1CCN(C)CC1.Cn1cc(-c2cnc(N)c(C(=O)N[C@H]3CCC[C@@H]3OCc3ccc(Br)cc3)c2)cn1.
What is the InChIKey of N-[(1S,2S)-2-[[4-(4-acetylphenyl)phenyl]methoxy]cyclopentyl]-2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(1S,2S)-2-[(4-bromophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(1S,2S)-2-[[4-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The InChIKey is AVIJIPRZQLDMOF-YONNUFPWSA-N. The full InChI is InChI=1S/C35H43N7O2.C30H31N5O3.C22H24BrN5O2/c1-24(42-17-15-40(2)16-18-42)26-11-13-28(14-12-26)27-9-7-25(8-10-27)23-44-33-6-4-5-32(33)39-35(43)31-19-29(20-37-34(31)36)30-21-38-41(3)22-30;1-19(36)21-10-12-23(13-11-21)22-8-6-20(7-9-22)18-38-28-5-3-4-27(28)34-30(37)26-14-24(15-32-29(26)31)25-16-33-35(2)17-25;1-28-12-16(11-26-28)15-9-18(21(24)25-10-15)22(29)27-19-3-2-4-20(19)30-13-14-5-7-17(23)8-6-14/h7-14,19-22,24,32-33H,4-6,15-18,23H2,1-3H3,(H2,36,37)(H,39,43);6-17,27-28H,3-5,18H2,1-2H3,(H2,31,32)(H,34,37);5-12,19-20H,2-4,13H2,1H3,(H2,24,25)(H,27,29)/t24?,32-,33-;27-,28-;19-,20-/m000/s1.
What are the key properties of N-[(1S,2S)-2-[[4-(4-acetylphenyl)phenyl]methoxy]cyclopentyl]-2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(1S,2S)-2-[(4-bromophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(1S,2S)-2-[[4-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
N-[(1S,2S)-2-[[4-(4-acetylphenyl)phenyl]methoxy]cyclopentyl]-2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(1S,2S)-2-[(4-bromophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(1S,2S)-2-[[4-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide has a molecular weight of 1573.76 g/mol, XLogP of 13.40, 23 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-[[4-(4-acetylphenyl)phenyl]methoxy]cyclopentyl]-2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(1S,2S)-2-[(4-bromophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(1S,2S)-2-[[4-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 157242114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).