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

C22H28F2N8O2 — CID 170425088

IUPACmethyl N-[1-[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]-3-[3-(dimethylamino)pyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]carbamate
SMILESCCc1cc(-n2nc(N3CCC(N(C)C)C3)c3cnc(NC(=O)OC)cc32)nc(C(C)(F)F)n1
InChIInChI=1S/C22H28F2N8O2/c1-6-13-9-18(28-20(26-13)22(2,23)24)32-16-10-17(27-21(33)34-5)25-11-15(16)19(29-32)31-8-7-14(12-31)30(3)4/h9-11,14H,6-8,12H2,1-5H3,(H,25,27,33)
InChIKeyYRQUINMBBYNEBS-UHFFFAOYSA-N
MW474.52 g/mol
LogP3.20
Rot. Bonds6

About 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

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 (PubChem CID 170425088) has the molecular formula C22H28F2N8O2 and a molecular weight of 474.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namemethyl N-[1-[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]-3-[3-(dimethylamino)pyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]carbamate
PubChem CID170425088
Molecular FormulaC22H28F2N8O2
Molecular Weight474.52 g/mol
Exact Mass474.23
IUPAC Namemethyl N-[1-[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]-3-[3-(dimethylamino)pyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]carbamate
SMILESCCc1cc(-n2nc(N3CCC(N(C)C)C3)c3cnc(NC(=O)OC)cc32)nc(C(C)(F)F)n1
InChIInChI=1S/C22H28F2N8O2/c1-6-13-9-18(28-20(26-13)22(2,23)24)32-16-10-17(27-21(33)34-5)25-11-15(16)19(29-32)31-8-7-14(12-31)30(3)4/h9-11,14H,6-8,12H2,1-5H3,(H,25,27,33)
InChIKeyYRQUINMBBYNEBS-UHFFFAOYSA-N
XLogP3.20
TPSA101.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.52
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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-[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-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577384
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
(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
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
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
N-[1-[6-ethyl-2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-3-[(3S)-3-[ethyl(methyl)amino]-3-methylpyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170352292
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
methyl N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-ethylpyrazolo[4,3-c]pyridin-6-yl]carbamate
CID 170577523
N-[1-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-3-(6-methyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577622
N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]-3-(3-methylimidazolidin-1-yl)pyrazolo[4,3-c]pyridin-6-yl]propanamide
CID 170576876

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1cc(-n2nc(N3CCC(N(C)C)C3)c3cnc(NC(=O)OC)cc32)nc(C(C)(F)F)n1.
What is the InChIKey of 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?
The InChIKey is YRQUINMBBYNEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F2N8O2/c1-6-13-9-18(28-20(26-13)22(2,23)24)32-16-10-17(27-21(33)34-5)25-11-15(16)19(29-32)31-8-7-14(12-31)30(3)4/h9-11,14H,6-8,12H2,1-5H3,(H,25,27,33).
What are the key properties of 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?
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 has a molecular weight of 474.52 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170425088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).