N-[5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide

C30H25N7O — CID 137116359

IUPACN-[5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide
SMILESO=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1)C1CCCC1
InChIInChI=1S/C30H25N7O/c38-30(18-4-1-2-5-18)34-22-10-21(14-32-15-22)19-7-8-26-24(11-19)29(37-36-26)27-12-23-25(16-33-17-28(23)35-27)20-6-3-9-31-13-20/h3,6-18,35H,1-2,4-5H2,(H,34,38)(H,36,37)
InChIKeyWYWUKSHABYDIOO-UHFFFAOYSA-N
MW499.58 g/mol
LogP6.36
Rot. Bonds5

About N-[5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide

N-[5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide (PubChem CID 137116359) has the molecular formula C30H25N7O and a molecular weight of 499.58 g/mol. Its IUPAC name is N-[5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide
PubChem CID137116359
Molecular FormulaC30H25N7O
Molecular Weight499.58 g/mol
Exact Mass499.21
IUPAC NameN-[5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide
SMILESO=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1)C1CCCC1
InChIInChI=1S/C30H25N7O/c38-30(18-4-1-2-5-18)34-22-10-21(14-32-15-22)19-7-8-26-24(11-19)29(37-36-26)27-12-23-25(16-33-17-28(23)35-27)20-6-3-9-31-13-20/h3,6-18,35H,1-2,4-5H2,(H,34,38)(H,36,37)
InChIKeyWYWUKSHABYDIOO-UHFFFAOYSA-N
XLogP6.36
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.58
LogP ≤ 56.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide?
The IUPAC name of N-[5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide (CID 137116359) is N-[5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide?
The canonical SMILES for N-[5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide is O=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1)C1CCCC1.
What is the InChIKey of N-[5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide?
The InChIKey is WYWUKSHABYDIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N7O/c38-30(18-4-1-2-5-18)34-22-10-21(14-32-15-22)19-7-8-26-24(11-19)29(37-36-26)27-12-23-25(16-33-17-28(23)35-27)20-6-3-9-31-13-20/h3,6-18,35H,1-2,4-5H2,(H,34,38)(H,36,37).
What are the key properties of N-[5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide?
N-[5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide has a molecular weight of 499.58 g/mol, XLogP of 6.36, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide is sourced from PubChem (CID 137116359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).