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

C22H21N7 — CID 137113468

IUPAC3-(4-piperidin-1-yl-1H-indol-2-yl)-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
SMILESc1cc(N2CCCCC2)c2cc(-c3n[nH]c4cnc(-c5cn[nH]c5)cc34)[nH]c2c1
InChIInChI=1S/C22H21N7/c1-2-7-29(8-3-1)21-6-4-5-17-15(21)9-19(26-17)22-16-10-18(14-11-24-25-12-14)23-13-20(16)27-28-22/h4-6,9-13,26H,1-3,7-8H2,(H,24,25)(H,27,28)
InChIKeyXRDRBRXKEWXEAB-UHFFFAOYSA-N
MW383.46 g/mol
LogP4.49
Rot. Bonds3

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

3-(4-piperidin-1-yl-1H-indol-2-yl)-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine (PubChem CID 137113468) has the molecular formula C22H21N7 and a molecular weight of 383.46 g/mol. Its IUPAC name is 3-(4-piperidin-1-yl-1H-indol-2-yl)-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-(4-piperidin-1-yl-1H-indol-2-yl)-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
PubChem CID137113468
Molecular FormulaC22H21N7
Molecular Weight383.46 g/mol
Exact Mass383.19
IUPAC Name3-(4-piperidin-1-yl-1H-indol-2-yl)-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
SMILESc1cc(N2CCCCC2)c2cc(-c3n[nH]c4cnc(-c5cn[nH]c5)cc34)[nH]c2c1
InChIInChI=1S/C22H21N7/c1-2-7-29(8-3-1)21-6-4-5-17-15(21)9-19(26-17)22-16-10-18(14-11-24-25-12-14)23-13-20(16)27-28-22/h4-6,9-13,26H,1-3,7-8H2,(H,24,25)(H,27,28)
InChIKeyXRDRBRXKEWXEAB-UHFFFAOYSA-N
XLogP4.49
TPSA89.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-piperidin-1-yl-1H-indol-2-yl)-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine
CID 137112914
3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-1H-indazole
CID 137312708
5-(1H-pyrazol-4-yl)-3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137111003
3-(4-piperidin-1-yl-1H-indol-2-yl)-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine
CID 137114479
5-[3-(4-piperidin-1-yl-1H-indol-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 137115913
3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 137113296
5-(5-methoxy-3-pyridinyl)-3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137033318
3-(4-piperidin-1-yl-1H-indol-2-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole
CID 137115804
3-phenyl-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71253840
N,N-dimethyl-2-[[5-[3-(4-piperidin-1-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]oxy]ethanamine
CID 137310744
N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 137112904
3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137116416

Frequently Asked Questions

What is the IUPAC name of 3-(4-piperidin-1-yl-1H-indol-2-yl)-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 3-(4-piperidin-1-yl-1H-indol-2-yl)-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine (CID 137113468) is 3-(4-piperidin-1-yl-1H-indol-2-yl)-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3-(4-piperidin-1-yl-1H-indol-2-yl)-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-(4-piperidin-1-yl-1H-indol-2-yl)-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine is c1cc(N2CCCCC2)c2cc(-c3n[nH]c4cnc(-c5cn[nH]c5)cc34)[nH]c2c1.
What is the InChIKey of 3-(4-piperidin-1-yl-1H-indol-2-yl)-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is XRDRBRXKEWXEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7/c1-2-7-29(8-3-1)21-6-4-5-17-15(21)9-19(26-17)22-16-10-18(14-11-24-25-12-14)23-13-20(16)27-28-22/h4-6,9-13,26H,1-3,7-8H2,(H,24,25)(H,27,28).
What are the key properties of 3-(4-piperidin-1-yl-1H-indol-2-yl)-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine?
3-(4-piperidin-1-yl-1H-indol-2-yl)-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 383.46 g/mol, XLogP of 4.49, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-piperidin-1-yl-1H-indol-2-yl)-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 137113468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).