N-[(1-methyl-3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridin-4-yl)methyl]-1-propan-2-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide

C33H41N7O2 — CID 155546957

IUPACN-[(1-methyl-3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridin-4-yl)methyl]-1-propan-2-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide
SMILESCc1[nH]c(=O)c(CNC(=O)c2cc(-c3ccc(N4CCN(C(C)C)CC4)nc3)cc3c2cnn3C(C)C)c2c1CCC2
InChIInChI=1S/C33H41N7O2/c1-20(2)38-11-13-39(14-12-38)31-10-9-23(17-34-31)24-15-27(28-19-36-40(21(3)4)30(28)16-24)32(41)35-18-29-26-8-6-7-25(26)22(5)37-33(29)42/h9-10,15-17,19-21H,6-8,11-14,18H2,1-5H3,(H,35,41)(H,37,42)
InChIKeyOSMANYDIDVAIGM-UHFFFAOYSA-N
MW567.74 g/mol
LogP4.63
Rot. Bonds7

About N-[(1-methyl-3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridin-4-yl)methyl]-1-propan-2-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide

N-[(1-methyl-3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridin-4-yl)methyl]-1-propan-2-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide (PubChem CID 155546957) has the molecular formula C33H41N7O2 and a molecular weight of 567.74 g/mol. Its IUPAC name is N-[(1-methyl-3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridin-4-yl)methyl]-1-propan-2-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-methyl-3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridin-4-yl)methyl]-1-propan-2-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide
PubChem CID155546957
Molecular FormulaC33H41N7O2
Molecular Weight567.74 g/mol
Exact Mass567.33
IUPAC NameN-[(1-methyl-3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridin-4-yl)methyl]-1-propan-2-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide
SMILESCc1[nH]c(=O)c(CNC(=O)c2cc(-c3ccc(N4CCN(C(C)C)CC4)nc3)cc3c2cnn3C(C)C)c2c1CCC2
InChIInChI=1S/C33H41N7O2/c1-20(2)38-11-13-39(14-12-38)31-10-9-23(17-34-31)24-15-27(28-19-36-40(21(3)4)30(28)16-24)32(41)35-18-29-26-8-6-7-25(26)22(5)37-33(29)42/h9-10,15-17,19-21H,6-8,11-14,18H2,1-5H3,(H,35,41)(H,37,42)
InChIKeyOSMANYDIDVAIGM-UHFFFAOYSA-N
XLogP4.63
TPSA99.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.74
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridin-4-yl)methyl]-1-propan-2-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide?
The IUPAC name of N-[(1-methyl-3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridin-4-yl)methyl]-1-propan-2-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide (CID 155546957) is N-[(1-methyl-3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridin-4-yl)methyl]-1-propan-2-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide.
What is the SMILES notation for N-[(1-methyl-3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridin-4-yl)methyl]-1-propan-2-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide?
The canonical SMILES for N-[(1-methyl-3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridin-4-yl)methyl]-1-propan-2-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide is Cc1[nH]c(=O)c(CNC(=O)c2cc(-c3ccc(N4CCN(C(C)C)CC4)nc3)cc3c2cnn3C(C)C)c2c1CCC2.
What is the InChIKey of N-[(1-methyl-3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridin-4-yl)methyl]-1-propan-2-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide?
The InChIKey is OSMANYDIDVAIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41N7O2/c1-20(2)38-11-13-39(14-12-38)31-10-9-23(17-34-31)24-15-27(28-19-36-40(21(3)4)30(28)16-24)32(41)35-18-29-26-8-6-7-25(26)22(5)37-33(29)42/h9-10,15-17,19-21H,6-8,11-14,18H2,1-5H3,(H,35,41)(H,37,42).
What are the key properties of N-[(1-methyl-3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridin-4-yl)methyl]-1-propan-2-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide?
N-[(1-methyl-3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridin-4-yl)methyl]-1-propan-2-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide has a molecular weight of 567.74 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridin-4-yl)methyl]-1-propan-2-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide is sourced from PubChem (CID 155546957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).