(3S)-1-[6-chloro-1-[2-(1,1-difluoroethyl)-6-(2-methoxyethoxy)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-3-yl]-N,N-dimethylpyrrolidin-3-amine

C21H26ClF2N7O2 — CID 170577846

IUPAC(3S)-1-[6-chloro-1-[2-(1,1-difluoroethyl)-6-(2-methoxyethoxy)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-3-yl]-N,N-dimethylpyrrolidin-3-amine
SMILESCOCCOc1cc(-n2nc(N3CC[C@H](N(C)C)C3)c3cnc(Cl)cc32)nc(C(C)(F)F)n1
InChIInChI=1S/C21H26ClF2N7O2/c1-21(23,24)20-26-17(10-18(27-20)33-8-7-32-4)31-15-9-16(22)25-11-14(15)19(28-31)30-6-5-13(12-30)29(2)3/h9-11,13H,5-8,12H2,1-4H3/t13-/m0/s1
InChIKeyLJOYWVOINRVMFW-ZDUSSCGKSA-N
MW481.94 g/mol
LogP3.14
Rot. Bonds8

About (3S)-1-[6-chloro-1-[2-(1,1-difluoroethyl)-6-(2-methoxyethoxy)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-3-yl]-N,N-dimethylpyrrolidin-3-amine

(3S)-1-[6-chloro-1-[2-(1,1-difluoroethyl)-6-(2-methoxyethoxy)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-3-yl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 170577846) has the molecular formula C21H26ClF2N7O2 and a molecular weight of 481.94 g/mol. Its IUPAC name is (3S)-1-[6-chloro-1-[2-(1,1-difluoroethyl)-6-(2-methoxyethoxy)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-3-yl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[6-chloro-1-[2-(1,1-difluoroethyl)-6-(2-methoxyethoxy)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-3-yl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID170577846
Molecular FormulaC21H26ClF2N7O2
Molecular Weight481.94 g/mol
Exact Mass481.18
IUPAC Name(3S)-1-[6-chloro-1-[2-(1,1-difluoroethyl)-6-(2-methoxyethoxy)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-3-yl]-N,N-dimethylpyrrolidin-3-amine
SMILESCOCCOc1cc(-n2nc(N3CC[C@H](N(C)C)C3)c3cnc(Cl)cc32)nc(C(C)(F)F)n1
InChIInChI=1S/C21H26ClF2N7O2/c1-21(23,24)20-26-17(10-18(27-20)33-8-7-32-4)31-15-9-16(22)25-11-14(15)19(28-31)30-6-5-13(12-30)29(2)3/h9-11,13H,5-8,12H2,1-4H3/t13-/m0/s1
InChIKeyLJOYWVOINRVMFW-ZDUSSCGKSA-N
XLogP3.14
TPSA81.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.94
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3S)-1-[6-chloro-1-[2-(1,1-difluoroethyl)-6-(2-methoxyethoxy)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-3-yl]-N,N-dimethylpyrrolidin-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

methyl N-[1-[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]-3-[3-(dimethylamino)pyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]carbamate
CID 170425088
6-chloro-1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-(9-methyl-3,9-diazabicyclo[3.3.1]nonan-3-yl)pyrazolo[4,3-c]pyridine
CID 170351822
N-[1-[6-cyclopropyloxy-2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577010
benzyl N-[1-[6-acetamido-1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]pyrazolo[4,3-c]pyridin-3-yl]pyrrolidin-3-yl]-N-methylcarbamate
CID 175955973
3-(azetidin-1-yl)-6-chloro-1-[6-(1,1-difluoroethyl)-2-methylpyrimidin-4-yl]pyrazolo[4,3-c]pyridine
CID 170577324
N-[1-[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]-3-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577917
N-[1-[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577262
N-[3-[(3R)-3-(diethylamino)pyrrolidin-1-yl]-1-[6-(1,1-difluoroethyl)pyrazin-2-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170352017
N-[3-cyclopropyl-1-[2-(1,1-difluoroethyl)-6-[(3-methoxycyclobutyl)methoxy]pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577207
N-[1-[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]-3-(3-methylpyrrolidin-1-yl)pyrazolo[4,3-c]pyridin-6-yl]formamide;ethane;N-methylmethanamine
CID 170576909
1-[1-[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]-6-methylpyrazolo[4,3-c]pyridin-3-yl]-3-(methoxymethyl)-N,N-dimethylpyrrolidin-3-amine;formamide
CID 170577471
N-[1-[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]-3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577384

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[6-chloro-1-[2-(1,1-difluoroethyl)-6-(2-methoxyethoxy)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-3-yl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of (3S)-1-[6-chloro-1-[2-(1,1-difluoroethyl)-6-(2-methoxyethoxy)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-3-yl]-N,N-dimethylpyrrolidin-3-amine (CID 170577846) is (3S)-1-[6-chloro-1-[2-(1,1-difluoroethyl)-6-(2-methoxyethoxy)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-3-yl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-[6-chloro-1-[2-(1,1-difluoroethyl)-6-(2-methoxyethoxy)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-3-yl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for (3S)-1-[6-chloro-1-[2-(1,1-difluoroethyl)-6-(2-methoxyethoxy)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-3-yl]-N,N-dimethylpyrrolidin-3-amine is COCCOc1cc(-n2nc(N3CC[C@H](N(C)C)C3)c3cnc(Cl)cc32)nc(C(C)(F)F)n1.
What is the InChIKey of (3S)-1-[6-chloro-1-[2-(1,1-difluoroethyl)-6-(2-methoxyethoxy)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-3-yl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is LJOYWVOINRVMFW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H26ClF2N7O2/c1-21(23,24)20-26-17(10-18(27-20)33-8-7-32-4)31-15-9-16(22)25-11-14(15)19(28-31)30-6-5-13(12-30)29(2)3/h9-11,13H,5-8,12H2,1-4H3/t13-/m0/s1.
What are the key properties of (3S)-1-[6-chloro-1-[2-(1,1-difluoroethyl)-6-(2-methoxyethoxy)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-3-yl]-N,N-dimethylpyrrolidin-3-amine?
(3S)-1-[6-chloro-1-[2-(1,1-difluoroethyl)-6-(2-methoxyethoxy)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-3-yl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 481.94 g/mol, XLogP of 3.14, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[6-chloro-1-[2-(1,1-difluoroethyl)-6-(2-methoxyethoxy)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-3-yl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 170577846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).