(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone

C27H25N5O — CID 24622694

IUPAC(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
SMILESO=C(c1cnc2c(cnn2Cc2ccccc2)c1)N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C27H25N5O/c33-27(31-12-10-20(11-13-31)24-17-28-25-9-5-4-8-23(24)25)22-14-21-16-30-32(26(21)29-15-22)18-19-6-2-1-3-7-19/h1-9,14-17,20,28H,10-13,18H2
InChIKeyNFCABLBWDDCKDR-UHFFFAOYSA-N
MW435.53 g/mol
LogP4.98
Rot. Bonds4

About (1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone

(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone (PubChem CID 24622694) has the molecular formula C27H25N5O and a molecular weight of 435.53 g/mol. Its IUPAC name is (1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
PubChem CID24622694
Molecular FormulaC27H25N5O
Molecular Weight435.53 g/mol
Exact Mass435.21
IUPAC Name(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
SMILESO=C(c1cnc2c(cnn2Cc2ccccc2)c1)N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C27H25N5O/c33-27(31-12-10-20(11-13-31)24-17-28-25-9-5-4-8-23(24)25)22-14-21-16-30-32(26(21)29-15-22)18-19-6-2-1-3-7-19/h1-9,14-17,20,28H,10-13,18H2
InChIKeyNFCABLBWDDCKDR-UHFFFAOYSA-N
XLogP4.98
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 166194053
(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 86917444
(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(4-ethylpiperazin-1-yl)methanone
CID 78836734
(3,4-dichlorophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 84558891
(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 31116432
[4-(1H-indol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 122190657
(4-bromophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 84558962
1-[4-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-phenylethanone
CID 23113298
(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 146125041
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 84559294
[4-(1H-indol-3-yl)piperidin-1-yl]-[3-(2-methylsulfanylimidazol-1-yl)phenyl]methanone
CID 55823602
(2-ethoxy-6-methyl-3-pyridinyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 119047088

Frequently Asked Questions

What is the IUPAC name of (1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone (CID 24622694) is (1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone is O=C(c1cnc2c(cnn2Cc2ccccc2)c1)N1CCC(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of (1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone?
The InChIKey is NFCABLBWDDCKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O/c33-27(31-12-10-20(11-13-31)24-17-28-25-9-5-4-8-23(24)25)22-14-21-16-30-32(26(21)29-15-22)18-19-6-2-1-3-7-19/h1-9,14-17,20,28H,10-13,18H2.
What are the key properties of (1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone?
(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone has a molecular weight of 435.53 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 24622694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).