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

C28H22FN7OS — CID 137033434

IUPACN-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
SMILESO=C(Nc1cncc(-c2cc3c(-c4cc5c(-c6ccc(F)s6)cncc5[nH]4)n[nH]c3cn2)c1)C1CCCC1
InChIInChI=1S/C28H22FN7OS/c29-26-6-5-25(38-26)20-12-31-13-23-18(20)8-22(34-23)27-19-9-21(32-14-24(19)35-36-27)16-7-17(11-30-10-16)33-28(37)15-3-1-2-4-15/h5-15,34H,1-4H2,(H,33,37)(H,35,36)
InChIKeyLTPRXNIIDJNWEQ-UHFFFAOYSA-N
MW523.60 g/mol
LogP6.56
Rot. Bonds5

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

N-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide (PubChem CID 137033434) has the molecular formula C28H22FN7OS and a molecular weight of 523.60 g/mol. Its IUPAC name is N-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
PubChem CID137033434
Molecular FormulaC28H22FN7OS
Molecular Weight523.60 g/mol
Exact Mass523.16
IUPAC NameN-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
SMILESO=C(Nc1cncc(-c2cc3c(-c4cc5c(-c6ccc(F)s6)cncc5[nH]4)n[nH]c3cn2)c1)C1CCCC1
InChIInChI=1S/C28H22FN7OS/c29-26-6-5-25(38-26)20-12-31-13-23-18(20)8-22(34-23)27-19-9-21(32-14-24(19)35-36-27)16-7-17(11-30-10-16)33-28(37)15-3-1-2-4-15/h5-15,34H,1-4H2,(H,33,37)(H,35,36)
InChIKeyLTPRXNIIDJNWEQ-UHFFFAOYSA-N
XLogP6.56
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.60
LogP ≤ 56.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide?
The IUPAC name of N-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide (CID 137033434) is N-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide?
The canonical SMILES for N-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide is O=C(Nc1cncc(-c2cc3c(-c4cc5c(-c6ccc(F)s6)cncc5[nH]4)n[nH]c3cn2)c1)C1CCCC1.
What is the InChIKey of N-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide?
The InChIKey is LTPRXNIIDJNWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22FN7OS/c29-26-6-5-25(38-26)20-12-31-13-23-18(20)8-22(34-23)27-19-9-21(32-14-24(19)35-36-27)16-7-17(11-30-10-16)33-28(37)15-3-1-2-4-15/h5-15,34H,1-4H2,(H,33,37)(H,35,36).
What are the key properties of N-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide?
N-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide has a molecular weight of 523.60 g/mol, XLogP of 6.56, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide is sourced from PubChem (CID 137033434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).