2-amino-N-[(1S,2S)-2-[[4-(1H-indol-7-yl)phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

C30H30N6O2 — CID 171524959

IUPAC2-amino-N-[(1S,2S)-2-[[4-(1H-indol-7-yl)phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
SMILESCn1cc(-c2cnc(N)c(C(=O)N[C@H]3CCC[C@@H]3OCc3ccc(-c4cccc5cc[nH]c45)cc3)c2)cn1
InChIInChI=1S/C30H30N6O2/c1-36-17-23(16-34-36)22-14-25(29(31)33-15-22)30(37)35-26-6-3-7-27(26)38-18-19-8-10-20(11-9-19)24-5-2-4-21-12-13-32-28(21)24/h2,4-5,8-17,26-27,32H,3,6-7,18H2,1H3,(H2,31,33)(H,35,37)/t26-,27-/m0/s1
InChIKeyNDTJONMECQJDRL-SVBPBHIXSA-N
MW506.61 g/mol
LogP5.08
Rot. Bonds7

About 2-amino-N-[(1S,2S)-2-[[4-(1H-indol-7-yl)phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

2-amino-N-[(1S,2S)-2-[[4-(1H-indol-7-yl)phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide (PubChem CID 171524959) has the molecular formula C30H30N6O2 and a molecular weight of 506.61 g/mol. Its IUPAC name is 2-amino-N-[(1S,2S)-2-[[4-(1H-indol-7-yl)phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(1S,2S)-2-[[4-(1H-indol-7-yl)phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
PubChem CID171524959
Molecular FormulaC30H30N6O2
Molecular Weight506.61 g/mol
Exact Mass506.24
IUPAC Name2-amino-N-[(1S,2S)-2-[[4-(1H-indol-7-yl)phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
SMILESCn1cc(-c2cnc(N)c(C(=O)N[C@H]3CCC[C@@H]3OCc3ccc(-c4cccc5cc[nH]c45)cc3)c2)cn1
InChIInChI=1S/C30H30N6O2/c1-36-17-23(16-34-36)22-14-25(29(31)33-15-22)30(37)35-26-6-3-7-27(26)38-18-19-8-10-20(11-9-19)24-5-2-4-21-12-13-32-28(21)24/h2,4-5,8-17,26-27,32H,3,6-7,18H2,1H3,(H2,31,33)(H,35,37)/t26-,27-/m0/s1
InChIKeyNDTJONMECQJDRL-SVBPBHIXSA-N
XLogP5.08
TPSA110.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.61
LogP ≤ 55.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S,2S)-2-[[4-(1H-indol-7-yl)phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[(1S,2S)-2-[[4-(1H-indol-7-yl)phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide (CID 171524959) is 2-amino-N-[(1S,2S)-2-[[4-(1H-indol-7-yl)phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[(1S,2S)-2-[[4-(1H-indol-7-yl)phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[(1S,2S)-2-[[4-(1H-indol-7-yl)phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide is Cn1cc(-c2cnc(N)c(C(=O)N[C@H]3CCC[C@@H]3OCc3ccc(-c4cccc5cc[nH]c45)cc3)c2)cn1.
What is the InChIKey of 2-amino-N-[(1S,2S)-2-[[4-(1H-indol-7-yl)phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The InChIKey is NDTJONMECQJDRL-SVBPBHIXSA-N. The full InChI is InChI=1S/C30H30N6O2/c1-36-17-23(16-34-36)22-14-25(29(31)33-15-22)30(37)35-26-6-3-7-27(26)38-18-19-8-10-20(11-9-19)24-5-2-4-21-12-13-32-28(21)24/h2,4-5,8-17,26-27,32H,3,6-7,18H2,1H3,(H2,31,33)(H,35,37)/t26-,27-/m0/s1.
What are the key properties of 2-amino-N-[(1S,2S)-2-[[4-(1H-indol-7-yl)phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
2-amino-N-[(1S,2S)-2-[[4-(1H-indol-7-yl)phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide has a molecular weight of 506.61 g/mol, XLogP of 5.08, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1S,2S)-2-[[4-(1H-indol-7-yl)phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 171524959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).