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

C24H36F2N8O — CID 170576909

IUPACN-[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
SMILESCC.CCc1cc(-n2nc(N3CCC(C)C3)c3cnc(NC=O)cc32)nc(C(C)(F)F)n1.CNC
InChIInChI=1S/C20H23F2N7O.C2H7N.C2H6/c1-4-13-7-17(26-19(25-13)20(3,21)22)29-15-8-16(24-11-30)23-9-14(15)18(27-29)28-6-5-12(2)10-28;1-3-2;1-2/h7-9,11-12H,4-6,10H2,1-3H3,(H,23,24,30);3H,1-2H3;1-2H3
InChIKeyUBTFRCMBRSVUNF-UHFFFAOYSA-N
MW490.60 g/mol
LogP4.16
Rot. Bonds6

About 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

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 (PubChem CID 170576909) has the molecular formula C24H36F2N8O and a molecular weight of 490.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID170576909
Molecular FormulaC24H36F2N8O
Molecular Weight490.60 g/mol
Exact Mass490.30
IUPAC NameN-[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
SMILESCC.CCc1cc(-n2nc(N3CCC(C)C3)c3cnc(NC=O)cc32)nc(C(C)(F)F)n1.CNC
InChIInChI=1S/C20H23F2N7O.C2H7N.C2H6/c1-4-13-7-17(26-19(25-13)20(3,21)22)29-15-8-16(24-11-30)23-9-14(15)18(27-29)28-6-5-12(2)10-28;1-3-2;1-2/h7-9,11-12H,4-6,10H2,1-3H3,(H,23,24,30);3H,1-2H3;1-2H3
InChIKeyUBTFRCMBRSVUNF-UHFFFAOYSA-N
XLogP4.16
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.60
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 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 with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC.CCc1cc(-n2nc(N3CCC(C)C3)c3cnc(NC=O)cc32)nc(C(C)(F)F)n1.CNC.
What is the InChIKey of 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?
The InChIKey is UBTFRCMBRSVUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N7O.C2H7N.C2H6/c1-4-13-7-17(26-19(25-13)20(3,21)22)29-15-8-16(24-11-30)23-9-14(15)18(27-29)28-6-5-12(2)10-28;1-3-2;1-2/h7-9,11-12H,4-6,10H2,1-3H3,(H,23,24,30);3H,1-2H3;1-2H3.
What are the key properties of 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?
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 has a molecular weight of 490.60 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170576909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).