N-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide

C29H23N7O — CID 137041148

IUPACN-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide
SMILESO=C(Nc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6cccnc6)cccc5[nH]4)c3c2)c1)C1CCC1
InChIInChI=1S/C29H23N7O/c37-29(17-4-1-5-17)33-21-10-19(14-31-16-21)20-11-24-27(35-36-28(24)32-15-20)26-12-23-22(7-2-8-25(23)34-26)18-6-3-9-30-13-18/h2-3,6-17,34H,1,4-5H2,(H,33,37)(H,32,35,36)
InChIKeyGDDQFUSNJNXLDU-UHFFFAOYSA-N
MW485.55 g/mol
LogP5.97
Rot. Bonds5

About N-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide

N-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide (PubChem CID 137041148) has the molecular formula C29H23N7O and a molecular weight of 485.55 g/mol. Its IUPAC name is N-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide
PubChem CID137041148
Molecular FormulaC29H23N7O
Molecular Weight485.55 g/mol
Exact Mass485.20
IUPAC NameN-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide
SMILESO=C(Nc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6cccnc6)cccc5[nH]4)c3c2)c1)C1CCC1
InChIInChI=1S/C29H23N7O/c37-29(17-4-1-5-17)33-21-10-19(14-31-16-21)20-11-24-27(35-36-28(24)32-15-20)26-12-23-22(7-2-8-25(23)34-26)18-6-3-9-30-13-18/h2-3,6-17,34H,1,4-5H2,(H,33,37)(H,32,35,36)
InChIKeyGDDQFUSNJNXLDU-UHFFFAOYSA-N
XLogP5.97
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.55
LogP ≤ 55.97
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-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide?
The IUPAC name of N-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide (CID 137041148) is N-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide?
The canonical SMILES for N-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide is O=C(Nc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6cccnc6)cccc5[nH]4)c3c2)c1)C1CCC1.
What is the InChIKey of N-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide?
The InChIKey is GDDQFUSNJNXLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N7O/c37-29(17-4-1-5-17)33-21-10-19(14-31-16-21)20-11-24-27(35-36-28(24)32-15-20)26-12-23-22(7-2-8-25(23)34-26)18-6-3-9-30-13-18/h2-3,6-17,34H,1,4-5H2,(H,33,37)(H,32,35,36).
What are the key properties of N-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide?
N-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide has a molecular weight of 485.55 g/mol, XLogP of 5.97, 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-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide is sourced from PubChem (CID 137041148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).