N-[1-[4-[4-(aminomethyl)-3-fluorophenyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-3-yl]acetamide

C19H21FN6O — CID 135204423

IUPACN-[1-[4-[4-(aminomethyl)-3-fluorophenyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(c2n[nH]c3nccc(-c4ccc(CN)c(F)c4)c23)C1
InChIInChI=1S/C19H21FN6O/c1-11(27)23-14-5-7-26(10-14)19-17-15(4-6-22-18(17)24-25-19)12-2-3-13(9-21)16(20)8-12/h2-4,6,8,14H,5,7,9-10,21H2,1H3,(H,23,27)(H,22,24,25)
InChIKeyIBPPGXUZTGGNGT-UHFFFAOYSA-N
MW368.42 g/mol
LogP1.94
Rot. Bonds4

About N-[1-[4-[4-(aminomethyl)-3-fluorophenyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-3-yl]acetamide

N-[1-[4-[4-(aminomethyl)-3-fluorophenyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-3-yl]acetamide (PubChem CID 135204423) has the molecular formula C19H21FN6O and a molecular weight of 368.42 g/mol. Its IUPAC name is N-[1-[4-[4-(aminomethyl)-3-fluorophenyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[4-[4-(aminomethyl)-3-fluorophenyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-3-yl]acetamide
PubChem CID135204423
Molecular FormulaC19H21FN6O
Molecular Weight368.42 g/mol
Exact Mass368.18
IUPAC NameN-[1-[4-[4-(aminomethyl)-3-fluorophenyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(c2n[nH]c3nccc(-c4ccc(CN)c(F)c4)c23)C1
InChIInChI=1S/C19H21FN6O/c1-11(27)23-14-5-7-26(10-14)19-17-15(4-6-22-18(17)24-25-19)12-2-3-13(9-21)16(20)8-12/h2-4,6,8,14H,5,7,9-10,21H2,1H3,(H,23,27)(H,22,24,25)
InChIKeyIBPPGXUZTGGNGT-UHFFFAOYSA-N
XLogP1.94
TPSA99.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[3-[(3R)-3-acetamidopyrrolidin-1-yl]-1H-pyrazolo[3,4-b]pyridin-4-yl]-2-fluorophenyl]methyl]-3-propan-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 135205096
N-[[4-[3-[3-(dimethylcarbamoylamino)pyrrolidin-1-yl]-1H-pyrazolo[3,4-b]pyridin-4-yl]-2-fluorophenyl]methyl]-5-(2-hydroxypropan-2-yl)pyridine-2-carboxamide
CID 135204902
N-[[2-fluoro-4-[3-[(3R)-3-(prop-2-enoylamino)pyrrolidin-1-yl]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-1,3-benzoxazole-2-carboxamide
CID 135204778
3-tert-butyl-N-[[2-fluoro-4-[3-[[(3R)-1-prop-2-enoylpyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]benzamide
CID 135204882
N-[[2-fluoro-4-[3-[[(3R)-pyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]benzamide
CID 135204311
3-[2-fluoro-4-[3-[[(3R)-pyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]-1-(4-methylphenyl)propan-1-one
CID 147720002
4-cyclopropyl-N-[[2-fluoro-4-[3-[[(3R)-1-(3-methyloxetane-3-carbonyl)pyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]benzamide
CID 135205456
N-[[2-fluoro-4-[3-[[(3R)-1-prop-2-enoylpyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 135204639
2-tert-butyl-N-[[4-[3-[[1-(dimethylcarbamoyl)pyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]-2-fluorophenyl]methyl]-1,3-oxazole-4-carboxamide
CID 135204626
[2-fluoro-4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)phenyl]methyl 3-tert-butylpyrrolidine-1-carboxylate
CID 134265167
4-[[4-[4-(aminomethyl)-3-fluorophenyl]-1-methylphosphanylpyrazolo[3,4-b]pyridin-3-yl]amino]cyclohexan-1-ol
CID 135216050
5-tert-butyl-N-[[2-fluoro-4-[3-[[(3R)-pyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 135205283

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[4-(aminomethyl)-3-fluorophenyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-[4-[4-(aminomethyl)-3-fluorophenyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-3-yl]acetamide (CID 135204423) is N-[1-[4-[4-(aminomethyl)-3-fluorophenyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[4-[4-(aminomethyl)-3-fluorophenyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-[4-[4-(aminomethyl)-3-fluorophenyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-3-yl]acetamide is CC(=O)NC1CCN(c2n[nH]c3nccc(-c4ccc(CN)c(F)c4)c23)C1.
What is the InChIKey of N-[1-[4-[4-(aminomethyl)-3-fluorophenyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-3-yl]acetamide?
The InChIKey is IBPPGXUZTGGNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O/c1-11(27)23-14-5-7-26(10-14)19-17-15(4-6-22-18(17)24-25-19)12-2-3-13(9-21)16(20)8-12/h2-4,6,8,14H,5,7,9-10,21H2,1H3,(H,23,27)(H,22,24,25).
What are the key properties of N-[1-[4-[4-(aminomethyl)-3-fluorophenyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-3-yl]acetamide?
N-[1-[4-[4-(aminomethyl)-3-fluorophenyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-3-yl]acetamide has a molecular weight of 368.42 g/mol, XLogP of 1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[4-(aminomethyl)-3-fluorophenyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 135204423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).