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

C30H25N7O — CID 137088058

IUPACN-[5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide
SMILESO=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccncc6)nccc5[nH]4)c3c2)c1)C1CCCC1
InChIInChI=1S/C30H25N7O/c38-30(19-3-1-2-4-19)34-22-13-21(16-32-17-22)20-5-6-26-23(14-20)29(37-36-26)27-15-24-25(35-27)9-12-33-28(24)18-7-10-31-11-8-18/h5-17,19,35H,1-4H2,(H,34,38)(H,36,37)
InChIKeyJTNWBRVLEFLRNU-UHFFFAOYSA-N
MW499.58 g/mol
LogP6.36
Rot. Bonds5

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

N-[5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide (PubChem CID 137088058) has the molecular formula C30H25N7O and a molecular weight of 499.58 g/mol. Its IUPAC name is N-[5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide
PubChem CID137088058
Molecular FormulaC30H25N7O
Molecular Weight499.58 g/mol
Exact Mass499.21
IUPAC NameN-[5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide
SMILESO=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccncc6)nccc5[nH]4)c3c2)c1)C1CCCC1
InChIInChI=1S/C30H25N7O/c38-30(19-3-1-2-4-19)34-22-13-21(16-32-17-22)20-5-6-26-23(14-20)29(37-36-26)27-15-24-25(35-27)9-12-33-28(24)18-7-10-31-11-8-18/h5-17,19,35H,1-4H2,(H,34,38)(H,36,37)
InChIKeyJTNWBRVLEFLRNU-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-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide?
The IUPAC name of N-[5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide (CID 137088058) is N-[5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide?
The canonical SMILES for N-[5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide is O=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccncc6)nccc5[nH]4)c3c2)c1)C1CCCC1.
What is the InChIKey of N-[5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide?
The InChIKey is JTNWBRVLEFLRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N7O/c38-30(19-3-1-2-4-19)34-22-13-21(16-32-17-22)20-5-6-26-23(14-20)29(37-36-26)27-15-24-25(35-27)9-12-33-28(24)18-7-10-31-11-8-18/h5-17,19,35H,1-4H2,(H,34,38)(H,36,37).
What are the key properties of N-[5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide?
N-[5-[3-(4-pyridin-4-yl-1H-pyrrolo[3,2-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-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide is sourced from PubChem (CID 137088058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).