1-[2-[3-(benzylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone

C24H24N6O — CID 110264641

IUPAC1-[2-[3-(benzylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)N1CCCC1c1ccc2c(NCc3ccccc3)n[nH]c2n1
InChIInChI=1S/C24H24N6O/c31-22(15-18-9-4-5-13-25-18)30-14-6-10-21(30)20-12-11-19-23(28-29-24(19)27-20)26-16-17-7-2-1-3-8-17/h1-5,7-9,11-13,21H,6,10,14-16H2,(H2,26,27,28,29)
InChIKeyGQWMZQOMAZAXIJ-UHFFFAOYSA-N
MW412.50 g/mol
LogP3.87
Rot. Bonds6

About 1-[2-[3-(benzylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone

1-[2-[3-(benzylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone (PubChem CID 110264641) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is 1-[2-[3-(benzylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-[2-[3-(benzylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone
PubChem CID110264641
Molecular FormulaC24H24N6O
Molecular Weight412.50 g/mol
Exact Mass412.20
IUPAC Name1-[2-[3-(benzylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)N1CCCC1c1ccc2c(NCc3ccccc3)n[nH]c2n1
InChIInChI=1S/C24H24N6O/c31-22(15-18-9-4-5-13-25-18)30-14-6-10-21(30)20-12-11-19-23(28-29-24(19)27-20)26-16-17-7-2-1-3-8-17/h1-5,7-9,11-13,21H,6,10,14-16H2,(H2,26,27,28,29)
InChIKeyGQWMZQOMAZAXIJ-UHFFFAOYSA-N
XLogP3.87
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-2-[3-(benzylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 124949520
2-pyridin-2-yl-1-[(2S)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95818185
2-pyridin-2-yl-1-[(2R)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95818184
3-cyclopentyl-1-[3-[3-(pyridin-2-ylmethylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]propan-1-one
CID 127251248
1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-phenylethanone
CID 110254483
3-methoxy-1-[3-[3-(pyridin-2-ylmethylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]propan-1-one
CID 127251253
2-(3-methoxyphenyl)-1-[2-[3-[(1-methylpiperidin-4-yl)amino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]ethanone
CID 110264640
6-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]-N-(pyridin-2-ylmethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine
CID 127251231
4-methyl-2-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one
CID 136816533
1-[3-[3-[(6-methyl-2-pyridinyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 155983950
1-(3-amino-2-phenylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 141043533
2-(4-fluorophenyl)-1-[2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110254606

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(benzylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone?
The IUPAC name of 1-[2-[3-(benzylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone (CID 110264641) is 1-[2-[3-(benzylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-[2-[3-(benzylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone?
The canonical SMILES for 1-[2-[3-(benzylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone is O=C(Cc1ccccn1)N1CCCC1c1ccc2c(NCc3ccccc3)n[nH]c2n1.
What is the InChIKey of 1-[2-[3-(benzylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone?
The InChIKey is GQWMZQOMAZAXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O/c31-22(15-18-9-4-5-13-25-18)30-14-6-10-21(30)20-12-11-19-23(28-29-24(19)27-20)26-16-17-7-2-1-3-8-17/h1-5,7-9,11-13,21H,6,10,14-16H2,(H2,26,27,28,29).
What are the key properties of 1-[2-[3-(benzylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone?
1-[2-[3-(benzylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone has a molecular weight of 412.50 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(benzylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 110264641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).