3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine

C21H20N8 — CID 137311971

IUPAC3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESc1n[nH]cc1-c1cnc2n[nH]c(-c3cc4c(N5CCCCC5)cncc4[nH]3)c2c1
InChIInChI=1S/C21H20N8/c1-2-4-29(5-3-1)19-12-22-11-18-15(19)7-17(26-18)20-16-6-13(14-9-24-25-10-14)8-23-21(16)28-27-20/h6-12,26H,1-5H2,(H,24,25)(H,23,27,28)
InChIKeyPCWXHUGDMAWQRG-UHFFFAOYSA-N
MW384.45 g/mol
LogP3.88
Rot. Bonds3

About 3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine

3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 137311971) has the molecular formula C21H20N8 and a molecular weight of 384.45 g/mol. Its IUPAC name is 3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine
PubChem CID137311971
Molecular FormulaC21H20N8
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC Name3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESc1n[nH]cc1-c1cnc2n[nH]c(-c3cc4c(N5CCCCC5)cncc4[nH]3)c2c1
InChIInChI=1S/C21H20N8/c1-2-4-29(5-3-1)19-12-22-11-18-15(19)7-17(26-18)20-16-6-13(14-9-24-25-10-14)8-23-21(16)28-27-20/h6-12,26H,1-5H2,(H,24,25)(H,23,27,28)
InChIKeyPCWXHUGDMAWQRG-UHFFFAOYSA-N
XLogP3.88
TPSA102.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine with MolForge

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Related Compounds

3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 137087888
2-methyl-N-[5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 137087890
2-(dimethylamino)-N-[5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 137041017
3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridine
CID 137040932
3-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]phenol
CID 137040870
3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 136945588
N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide
CID 137040343
N-[[5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 137311835
5-[3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol
CID 137038891
N-[5-[3-(4-piperidin-1-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 137041256
5-(1H-pyrazol-4-yl)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137041146
N-but-1-en-2-yl-5-[3-(4-piperidin-1-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
CID 137087767

Frequently Asked Questions

What is the IUPAC name of 3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine (CID 137311971) is 3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine is c1n[nH]cc1-c1cnc2n[nH]c(-c3cc4c(N5CCCCC5)cncc4[nH]3)c2c1.
What is the InChIKey of 3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is PCWXHUGDMAWQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8/c1-2-4-29(5-3-1)19-12-22-11-18-15(19)7-17(26-18)20-16-6-13(14-9-24-25-10-14)8-23-21(16)28-27-20/h6-12,26H,1-5H2,(H,24,25)(H,23,27,28).
What are the key properties of 3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine?
3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 384.45 g/mol, XLogP of 3.88, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 137311971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).