N,N-dimethyl-5-(4-methylpiperazin-1-yl)-1-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4-phenylpyrazol-3-amine

C40H39N7O — CID 153415600

IUPACN,N-dimethyl-5-(4-methylpiperazin-1-yl)-1-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4-phenylpyrazol-3-amine
SMILESCc1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5nc(N(C)C)c(-c6ccccc6)c5N5CCN(C)CC5)c4)cc32)c1
InChIInChI=1S/C40H39N7O/c1-28-19-20-41-37(25-28)46-35-16-9-8-15-33(35)34-18-17-32(27-36(34)46)48-31-14-10-13-30(26-31)47-40(45-23-21-44(4)22-24-45)38(39(42-47)43(2)3)29-11-6-5-7-12-29/h5-20,25-27H,21-24H2,1-4H3
InChIKeyULDHPNXOWQBGCX-UHFFFAOYSA-N
MW633.80 g/mol
LogP7.95
Rot. Bonds7

About N,N-dimethyl-5-(4-methylpiperazin-1-yl)-1-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4-phenylpyrazol-3-amine

N,N-dimethyl-5-(4-methylpiperazin-1-yl)-1-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4-phenylpyrazol-3-amine (PubChem CID 153415600) has the molecular formula C40H39N7O and a molecular weight of 633.80 g/mol. Its IUPAC name is N,N-dimethyl-5-(4-methylpiperazin-1-yl)-1-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4-phenylpyrazol-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-(4-methylpiperazin-1-yl)-1-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4-phenylpyrazol-3-amine
PubChem CID153415600
Molecular FormulaC40H39N7O
Molecular Weight633.80 g/mol
Exact Mass633.32
IUPAC NameN,N-dimethyl-5-(4-methylpiperazin-1-yl)-1-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4-phenylpyrazol-3-amine
SMILESCc1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5nc(N(C)C)c(-c6ccccc6)c5N5CCN(C)CC5)c4)cc32)c1
InChIInChI=1S/C40H39N7O/c1-28-19-20-41-37(25-28)46-35-16-9-8-15-33(35)34-18-17-32(27-36(34)46)48-31-14-10-13-30(26-31)47-40(45-23-21-44(4)22-24-45)38(39(42-47)43(2)3)29-11-6-5-7-12-29/h5-20,25-27H,21-24H2,1-4H3
InChIKeyULDHPNXOWQBGCX-UHFFFAOYSA-N
XLogP7.95
TPSA54.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.80
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[3-[3,5-dipyrrolidin-1-yl-4-(2,3,5,6-tetramethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153416321
2-[3-[5-(2,2-dimethylpropyl)-4-phenyl-3-propylpyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153415384
2-[5-methoxy-2-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4-phenylpyrazol-3-yl]ethanethiol
CID 153415721
2-[3-[5-(3,3-dimethylbutyl)-3-ethyl-4-phenylpyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153415666
1-N,1-N,3-N,3-N,4,6-hexamethyl-2-[1-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]benzene-1,3-diamine
CID 153413011
2-[3-[3,5-dimethyl-4-(4-methyl-2,6-diphenoxyphenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153416946
1-N,1-N,3-N,3-N-tetramethyl-2-[1-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]benzene-1,3-diamine
CID 153414281
2-[3-[3,5-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153417870
N,N-dimethyl-2-[2-[3-[5-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazin-2-yl]phenoxy]carbazol-9-yl]pyridin-4-amine
CID 157068270
2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-methoxyphenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153415395
2-[3-[3,5-dimethyl-4-(2,4,6-trifluorophenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153416830
2-[3-[4-(2,6-dimethyl-4-pyridin-2-ylphenyl)-3,5-dimethylpyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153416511

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-(4-methylpiperazin-1-yl)-1-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4-phenylpyrazol-3-amine?
The IUPAC name of N,N-dimethyl-5-(4-methylpiperazin-1-yl)-1-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4-phenylpyrazol-3-amine (CID 153415600) is N,N-dimethyl-5-(4-methylpiperazin-1-yl)-1-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4-phenylpyrazol-3-amine.
What is the SMILES notation for N,N-dimethyl-5-(4-methylpiperazin-1-yl)-1-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4-phenylpyrazol-3-amine?
The canonical SMILES for N,N-dimethyl-5-(4-methylpiperazin-1-yl)-1-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4-phenylpyrazol-3-amine is Cc1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5nc(N(C)C)c(-c6ccccc6)c5N5CCN(C)CC5)c4)cc32)c1.
What is the InChIKey of N,N-dimethyl-5-(4-methylpiperazin-1-yl)-1-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4-phenylpyrazol-3-amine?
The InChIKey is ULDHPNXOWQBGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H39N7O/c1-28-19-20-41-37(25-28)46-35-16-9-8-15-33(35)34-18-17-32(27-36(34)46)48-31-14-10-13-30(26-31)47-40(45-23-21-44(4)22-24-45)38(39(42-47)43(2)3)29-11-6-5-7-12-29/h5-20,25-27H,21-24H2,1-4H3.
What are the key properties of N,N-dimethyl-5-(4-methylpiperazin-1-yl)-1-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4-phenylpyrazol-3-amine?
N,N-dimethyl-5-(4-methylpiperazin-1-yl)-1-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4-phenylpyrazol-3-amine has a molecular weight of 633.80 g/mol, XLogP of 7.95, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-(4-methylpiperazin-1-yl)-1-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-4-phenylpyrazol-3-amine is sourced from PubChem (CID 153415600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).