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

C22H21N7 — CID 137312708

IUPAC3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-1H-indazole
SMILESc1cc2[nH]c(-c3n[nH]c4ccc(-c5cn[nH]c5)cc34)cc2c(N2CCCCC2)n1
InChIInChI=1S/C22H21N7/c1-2-8-29(9-3-1)22-17-11-20(26-18(17)6-7-23-22)21-16-10-14(15-12-24-25-13-15)4-5-19(16)27-28-21/h4-7,10-13,26H,1-3,8-9H2,(H,24,25)(H,27,28)
InChIKeyZJZXEABZGQYMBT-UHFFFAOYSA-N
MW383.46 g/mol
LogP4.49
Rot. Bonds3

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

3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-1H-indazole (PubChem CID 137312708) has the molecular formula C22H21N7 and a molecular weight of 383.46 g/mol. Its IUPAC name is 3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-1H-indazole.

Molecular Properties

Compound Name3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-1H-indazole
PubChem CID137312708
Molecular FormulaC22H21N7
Molecular Weight383.46 g/mol
Exact Mass383.19
IUPAC Name3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-1H-indazole
SMILESc1cc2[nH]c(-c3n[nH]c4ccc(-c5cn[nH]c5)cc34)cc2c(N2CCCCC2)n1
InChIInChI=1S/C22H21N7/c1-2-8-29(9-3-1)22-17-11-20(26-18(17)6-7-23-22)21-16-10-14(15-12-24-25-13-15)4-5-19(16)27-28-21/h4-7,10-13,26H,1-3,8-9H2,(H,24,25)(H,27,28)
InChIKeyZJZXEABZGQYMBT-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-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole
CID 137313037
3-(4-piperidin-1-yl-1H-indol-2-yl)-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137113468
5-(4-methyl-3-pyridinyl)-3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137034121
5-(4-methyl-3-pyridinyl)-3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137103136
N,N-dimethyl-1-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methanamine
CID 137088022
3-(4-piperidin-1-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-pyrimidin-5-yl-1H-indazole
CID 137111591
5-[5-(cyclohexylmethyl)-3-pyridinyl]-3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137034329
2-[5-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-4-pyridin-2-yl-1H-pyrrolo[2,3-c]pyridine
CID 137116367
N-[[5-[3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137034041
N-(3-methylbut-1-en-2-yl)-5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine
CID 137088052
3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole
CID 137312980
3-[4-(furan-3-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole
CID 137117017

Frequently Asked Questions

What is the IUPAC name of 3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-1H-indazole?
The IUPAC name of 3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-1H-indazole (CID 137312708) is 3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-1H-indazole.
What is the SMILES notation for 3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-1H-indazole?
The canonical SMILES for 3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-1H-indazole is c1cc2[nH]c(-c3n[nH]c4ccc(-c5cn[nH]c5)cc34)cc2c(N2CCCCC2)n1.
What is the InChIKey of 3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-1H-indazole?
The InChIKey is ZJZXEABZGQYMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7/c1-2-8-29(9-3-1)22-17-11-20(26-18(17)6-7-23-22)21-16-10-14(15-12-24-25-13-15)4-5-19(16)27-28-21/h4-7,10-13,26H,1-3,8-9H2,(H,24,25)(H,27,28).
What are the key properties of 3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-1H-indazole?
3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-1H-indazole 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-pyrrolo[3,2-c]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-1H-indazole is sourced from PubChem (CID 137312708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).