3-[2-fluoro-4-[3-(pyridin-2-ylamino)oxiran-2-yl]phenyl]-1-[(3R)-piperidin-3-yl]pyrazolo[4,3-c]pyridin-4-amine

C24H24FN7O — CID 137412144

IUPAC3-[2-fluoro-4-[3-(pyridin-2-ylamino)oxiran-2-yl]phenyl]-1-[(3R)-piperidin-3-yl]pyrazolo[4,3-c]pyridin-4-amine
SMILESNc1nccc2c1c(-c1ccc(C3OC3Nc3ccccn3)cc1F)nn2[C@@H]1CCCNC1
InChIInChI=1S/C24H24FN7O/c25-17-12-14(22-24(33-22)30-19-5-1-2-10-28-19)6-7-16(17)21-20-18(8-11-29-23(20)26)32(31-21)15-4-3-9-27-13-15/h1-2,5-8,10-12,15,22,24,27H,3-4,9,13H2,(H2,26,29)(H,28,30)/t15-,22?,24?/m1/s1
InChIKeyBXZYZYPVCCIQSL-YUYVHZINSA-N
MW445.50 g/mol
LogP3.65
Rot. Bonds5

About 3-[2-fluoro-4-[3-(pyridin-2-ylamino)oxiran-2-yl]phenyl]-1-[(3R)-piperidin-3-yl]pyrazolo[4,3-c]pyridin-4-amine

3-[2-fluoro-4-[3-(pyridin-2-ylamino)oxiran-2-yl]phenyl]-1-[(3R)-piperidin-3-yl]pyrazolo[4,3-c]pyridin-4-amine (PubChem CID 137412144) has the molecular formula C24H24FN7O and a molecular weight of 445.50 g/mol. Its IUPAC name is 3-[2-fluoro-4-[3-(pyridin-2-ylamino)oxiran-2-yl]phenyl]-1-[(3R)-piperidin-3-yl]pyrazolo[4,3-c]pyridin-4-amine.

Molecular Properties

Compound Name3-[2-fluoro-4-[3-(pyridin-2-ylamino)oxiran-2-yl]phenyl]-1-[(3R)-piperidin-3-yl]pyrazolo[4,3-c]pyridin-4-amine
PubChem CID137412144
Molecular FormulaC24H24FN7O
Molecular Weight445.50 g/mol
Exact Mass445.20
IUPAC Name3-[2-fluoro-4-[3-(pyridin-2-ylamino)oxiran-2-yl]phenyl]-1-[(3R)-piperidin-3-yl]pyrazolo[4,3-c]pyridin-4-amine
SMILESNc1nccc2c1c(-c1ccc(C3OC3Nc3ccccn3)cc1F)nn2[C@@H]1CCCNC1
InChIInChI=1S/C24H24FN7O/c25-17-12-14(22-24(33-22)30-19-5-1-2-10-28-19)6-7-16(17)21-20-18(8-11-29-23(20)26)32(31-21)15-4-3-9-27-13-15/h1-2,5-8,10-12,15,22,24,27H,3-4,9,13H2,(H2,26,29)(H,28,30)/t15-,22?,24?/m1/s1
InChIKeyBXZYZYPVCCIQSL-YUYVHZINSA-N
XLogP3.65
TPSA106.21 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

4-[4-amino-7-cyano-1-[(3R)-piperidin-3-yl]pyrazolo[4,5-c]pyridin-3-yl]-3-fluoro-N-pyridin-2-ylbenzamide;hydrochloride
CID 142749954
3-[4-(2,3-difluorophenoxy)-2-fluorophenyl]-1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 71015156
N-piperidin-3-ylpyridin-2-amine
CID 63321128
N-[[4-[4-amino-1-[(3R)-piperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]phenyl]methyl]-3-fluoro-5-(trifluoromethyl)benzenesulfonamide
CID 118385931
[4-(4-amino-1-pyrrolidin-3-ylpyrazolo[3,4-d]pyrimidin-3-yl)-3-fluorophenyl]-(2-fluorophenyl)methanone
CID 121471931
4-(4-amino-7-anilino-1-piperidin-3-ylpyrazolo[4,5-c]pyridin-3-yl)-N-pyridin-2-ylbenzamide
CID 146524085
4-[4-amino-1-[(3R)-1-tert-butylpiperidin-3-yl]-7-iodopyrazolo[4,5-c]pyridin-3-yl]-3-fluoro-N-pyridin-2-ylbenzamide
CID 142516009
4-amino-N-(6-bromo-1,3-benzoxazol-2-yl)-1-piperidin-3-ylpyrazolo[4,3-c]pyridine-3-carboxamide
CID 146524044
2-(3-amino-1-piperidin-3-ylpyrazolo[4,3-c]pyridazin-6-yl)phenol
CID 168896538
4-[4-amino-1-(azetidin-3-yl)-7-chloropyrazolo[4,5-c]pyridin-3-yl]-3-chloro-N-pyridin-2-ylbenzamide
CID 137412171
N-pyrrolidin-3-ylpyridin-2-amine
CID 19814840
N-[[4-[4-amino-1-[(3R)-piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-2,5-difluorobenzamide
CID 118579117

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-4-[3-(pyridin-2-ylamino)oxiran-2-yl]phenyl]-1-[(3R)-piperidin-3-yl]pyrazolo[4,3-c]pyridin-4-amine?
The IUPAC name of 3-[2-fluoro-4-[3-(pyridin-2-ylamino)oxiran-2-yl]phenyl]-1-[(3R)-piperidin-3-yl]pyrazolo[4,3-c]pyridin-4-amine (CID 137412144) is 3-[2-fluoro-4-[3-(pyridin-2-ylamino)oxiran-2-yl]phenyl]-1-[(3R)-piperidin-3-yl]pyrazolo[4,3-c]pyridin-4-amine.
What is the SMILES notation for 3-[2-fluoro-4-[3-(pyridin-2-ylamino)oxiran-2-yl]phenyl]-1-[(3R)-piperidin-3-yl]pyrazolo[4,3-c]pyridin-4-amine?
The canonical SMILES for 3-[2-fluoro-4-[3-(pyridin-2-ylamino)oxiran-2-yl]phenyl]-1-[(3R)-piperidin-3-yl]pyrazolo[4,3-c]pyridin-4-amine is Nc1nccc2c1c(-c1ccc(C3OC3Nc3ccccn3)cc1F)nn2[C@@H]1CCCNC1.
What is the InChIKey of 3-[2-fluoro-4-[3-(pyridin-2-ylamino)oxiran-2-yl]phenyl]-1-[(3R)-piperidin-3-yl]pyrazolo[4,3-c]pyridin-4-amine?
The InChIKey is BXZYZYPVCCIQSL-YUYVHZINSA-N. The full InChI is InChI=1S/C24H24FN7O/c25-17-12-14(22-24(33-22)30-19-5-1-2-10-28-19)6-7-16(17)21-20-18(8-11-29-23(20)26)32(31-21)15-4-3-9-27-13-15/h1-2,5-8,10-12,15,22,24,27H,3-4,9,13H2,(H2,26,29)(H,28,30)/t15-,22?,24?/m1/s1.
What are the key properties of 3-[2-fluoro-4-[3-(pyridin-2-ylamino)oxiran-2-yl]phenyl]-1-[(3R)-piperidin-3-yl]pyrazolo[4,3-c]pyridin-4-amine?
3-[2-fluoro-4-[3-(pyridin-2-ylamino)oxiran-2-yl]phenyl]-1-[(3R)-piperidin-3-yl]pyrazolo[4,3-c]pyridin-4-amine has a molecular weight of 445.50 g/mol, XLogP of 3.65, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-4-[3-(pyridin-2-ylamino)oxiran-2-yl]phenyl]-1-[(3R)-piperidin-3-yl]pyrazolo[4,3-c]pyridin-4-amine is sourced from PubChem (CID 137412144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).