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

C28H24N6O2 — CID 137116054

IUPACN-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
SMILESCCCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccoc6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C28H24N6O2/c1-2-3-4-27(35)31-20-9-19(12-29-13-20)17-5-6-24-22(10-17)28(34-33-24)25-11-21-23(18-7-8-36-16-18)14-30-15-26(21)32-25/h5-16,32H,2-4H2,1H3,(H,31,35)(H,33,34)
InChIKeyXRCYPDQFYQCAAT-UHFFFAOYSA-N
MW476.54 g/mol
LogP6.56
Rot. Bonds7

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

N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide (PubChem CID 137116054) has the molecular formula C28H24N6O2 and a molecular weight of 476.54 g/mol. Its IUPAC name is N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide.

Molecular Properties

Compound NameN-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
PubChem CID137116054
Molecular FormulaC28H24N6O2
Molecular Weight476.54 g/mol
Exact Mass476.20
IUPAC NameN-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
SMILESCCCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccoc6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C28H24N6O2/c1-2-3-4-27(35)31-20-9-19(12-29-13-20)17-5-6-24-22(10-17)28(34-33-24)25-11-21-23(18-7-8-36-16-18)14-30-15-26(21)32-25/h5-16,32H,2-4H2,1H3,(H,31,35)(H,33,34)
InChIKeyXRCYPDQFYQCAAT-UHFFFAOYSA-N
XLogP6.56
TPSA112.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.54
LogP ≤ 56.56
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-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide?
The IUPAC name of N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide (CID 137116054) is N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide.
What is the SMILES notation for N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide?
The canonical SMILES for N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide is CCCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccoc6)cncc5[nH]4)c3c2)c1.
What is the InChIKey of N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide?
The InChIKey is XRCYPDQFYQCAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6O2/c1-2-3-4-27(35)31-20-9-19(12-29-13-20)17-5-6-24-22(10-17)28(34-33-24)25-11-21-23(18-7-8-36-16-18)14-30-15-26(21)32-25/h5-16,32H,2-4H2,1H3,(H,31,35)(H,33,34).
What are the key properties of N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide?
N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide has a molecular weight of 476.54 g/mol, XLogP of 6.56, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide is sourced from PubChem (CID 137116054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).