4-[5-(piperidin-1-ylmethyl)-3-propan-2-yl-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine

C23H27N5 — CID 154639567

IUPAC4-[5-(piperidin-1-ylmethyl)-3-propan-2-yl-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine
SMILESCC(C)c1c(-c2ccnc3[nH]ncc23)[nH]c2ccc(CN3CCCCC3)cc12
InChIInChI=1S/C23H27N5/c1-15(2)21-18-12-16(14-28-10-4-3-5-11-28)6-7-20(18)26-22(21)17-8-9-24-23-19(17)13-25-27-23/h6-9,12-13,15,26H,3-5,10-11,14H2,1-2H3,(H,24,25,27)
InChIKeyIBTFDGFDHMDFRO-UHFFFAOYSA-N
MW373.50 g/mol
LogP5.22
Rot. Bonds4

About 4-[5-(piperidin-1-ylmethyl)-3-propan-2-yl-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine

4-[5-(piperidin-1-ylmethyl)-3-propan-2-yl-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine (PubChem CID 154639567) has the molecular formula C23H27N5 and a molecular weight of 373.50 g/mol. Its IUPAC name is 4-[5-(piperidin-1-ylmethyl)-3-propan-2-yl-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name4-[5-(piperidin-1-ylmethyl)-3-propan-2-yl-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine
PubChem CID154639567
Molecular FormulaC23H27N5
Molecular Weight373.50 g/mol
Exact Mass373.23
IUPAC Name4-[5-(piperidin-1-ylmethyl)-3-propan-2-yl-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine
SMILESCC(C)c1c(-c2ccnc3[nH]ncc23)[nH]c2ccc(CN3CCCCC3)cc12
InChIInChI=1S/C23H27N5/c1-15(2)21-18-12-16(14-28-10-4-3-5-11-28)6-7-20(18)26-22(21)17-8-9-24-23-19(17)13-25-27-23/h6-9,12-13,15,26H,3-5,10-11,14H2,1-2H3,(H,24,25,27)
InChIKeyIBTFDGFDHMDFRO-UHFFFAOYSA-N
XLogP5.22
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[5-(piperidin-1-ylmethyl)-3-propan-2-yl-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine with MolForge

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Related Compounds

2-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]-1,3-oxazole
CID 175042525
2-[4-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethanamine
CID 142594342
2-[3-fluoro-4-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine
CID 142594305
4-[3-propan-2-yl-5-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine
CID 142594191
4-[5-(4-piperidin-4-yloxycyclohexyl)-3-propan-2-yl-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine
CID 151530371
1-[6-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]pyrimidin-4-yl]piperidin-4-amine
CID 154640013
4-[2-oxo-2-[4-[3-propan-2-yl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethyl]piperazin-2-one
CID 142594746
2-(3-fluoro-2-methyl-4-pyridinyl)-5-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole
CID 134329571
4-[3-ethyl-5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine
CID 151633639
3-propan-2-yl-2-(1H-pyrazol-4-yl)-5-[1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-4-yl]-1H-indole
CID 175036602
2-methyl-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridine
CID 59640170
2-(2-methyl-4-pyridinyl)-3-propan-2-yl-5-(2-pyrrolidin-1-ylethoxy)-1H-indole
CID 138688585

Frequently Asked Questions

What is the IUPAC name of 4-[5-(piperidin-1-ylmethyl)-3-propan-2-yl-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 4-[5-(piperidin-1-ylmethyl)-3-propan-2-yl-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine (CID 154639567) is 4-[5-(piperidin-1-ylmethyl)-3-propan-2-yl-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 4-[5-(piperidin-1-ylmethyl)-3-propan-2-yl-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 4-[5-(piperidin-1-ylmethyl)-3-propan-2-yl-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine is CC(C)c1c(-c2ccnc3[nH]ncc23)[nH]c2ccc(CN3CCCCC3)cc12.
What is the InChIKey of 4-[5-(piperidin-1-ylmethyl)-3-propan-2-yl-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine?
The InChIKey is IBTFDGFDHMDFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5/c1-15(2)21-18-12-16(14-28-10-4-3-5-11-28)6-7-20(18)26-22(21)17-8-9-24-23-19(17)13-25-27-23/h6-9,12-13,15,26H,3-5,10-11,14H2,1-2H3,(H,24,25,27).
What are the key properties of 4-[5-(piperidin-1-ylmethyl)-3-propan-2-yl-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine?
4-[5-(piperidin-1-ylmethyl)-3-propan-2-yl-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine has a molecular weight of 373.50 g/mol, XLogP of 5.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(piperidin-1-ylmethyl)-3-propan-2-yl-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 154639567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).