N-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-1-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine

C22H28FN7 — CID 176983871

IUPACN-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-1-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine
SMILESCN1CCC(n2nc(Nc3ccc(-c4cnn(C)c4)cc3F)c3c2CCNC3)CC1
InChIInChI=1S/C22H28FN7/c1-28-9-6-17(7-10-28)30-21-5-8-24-13-18(21)22(27-30)26-20-4-3-15(11-19(20)23)16-12-25-29(2)14-16/h3-4,11-12,14,17,24H,5-10,13H2,1-2H3,(H,26,27)
InChIKeyHLCPVVBBSQDPTI-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.08
Rot. Bonds4

About N-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-1-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine

N-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-1-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine (PubChem CID 176983871) has the molecular formula C22H28FN7 and a molecular weight of 409.51 g/mol. Its IUPAC name is N-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-1-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine.

Molecular Properties

Compound NameN-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-1-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine
PubChem CID176983871
Molecular FormulaC22H28FN7
Molecular Weight409.51 g/mol
Exact Mass409.24
IUPAC NameN-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-1-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine
SMILESCN1CCC(n2nc(Nc3ccc(-c4cnn(C)c4)cc3F)c3c2CCNC3)CC1
InChIInChI=1S/C22H28FN7/c1-28-9-6-17(7-10-28)30-21-5-8-24-13-18(21)22(27-30)26-20-4-3-15(11-19(20)23)16-12-25-29(2)14-16/h3-4,11-12,14,17,24H,5-10,13H2,1-2H3,(H,26,27)
InChIKeyHLCPVVBBSQDPTI-UHFFFAOYSA-N
XLogP3.08
TPSA62.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-1-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-5-methyl-1-[1-(2-piperidin-4-ylethyl)piperidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-amine
CID 176986503
1-[1-[1-(azetidin-3-ylmethyl)piperidin-4-yl]-3-[2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 177123094
3-[2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbaldehyde
CID 145092272
2-[4-[2-[4-[5-acetyl-3-[2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]ethyl]piperazin-1-yl]pyrimidine-5-carboxylic acid
CID 176983221
1-[3-[5-(difluoromethyl)-2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[5-(difluoromethyl)-2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;3-[2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-[2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 158439193
1-cyclopropyl-N-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine
CID 121365312
1-[1-(1-acetylpiperidin-4-yl)-3-[5-(difluoromethyl)-2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 158149767
1-[3-[2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(3-methyloxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121373106
1-[3-[5-(difluoromethyl)-2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 121373104
3-[2-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 121376865
2-[3-[2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1H-indazol-6-yl]propan-2-ol
CID 156727141
3-[5-cyano-2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 121372616

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-1-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine?
The IUPAC name of N-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-1-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine (CID 176983871) is N-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-1-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine.
What is the SMILES notation for N-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-1-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine?
The canonical SMILES for N-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-1-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine is CN1CCC(n2nc(Nc3ccc(-c4cnn(C)c4)cc3F)c3c2CCNC3)CC1.
What is the InChIKey of N-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-1-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine?
The InChIKey is HLCPVVBBSQDPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN7/c1-28-9-6-17(7-10-28)30-21-5-8-24-13-18(21)22(27-30)26-20-4-3-15(11-19(20)23)16-12-25-29(2)14-16/h3-4,11-12,14,17,24H,5-10,13H2,1-2H3,(H,26,27).
What are the key properties of N-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-1-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine?
N-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-1-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine has a molecular weight of 409.51 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]-1-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine is sourced from PubChem (CID 176983871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).