N-[3-amino-6-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-2-(2,2-difluoroethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide

C17H17F2N7OS — CID 135234248

IUPACN-[3-amino-6-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-2-(2,2-difluoroethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide
SMILESCc1ncc(-c2ccc(N)c(NC(=O)N3Cc4cn(CC(F)F)nc4C3)n2)s1
InChIInChI=1S/C17H17F2N7OS/c1-9-21-4-14(28-9)12-3-2-11(20)16(22-12)23-17(27)25-5-10-6-26(8-15(18)19)24-13(10)7-25/h2-4,6,15H,5,7-8,20H2,1H3,(H,22,23,27)
InChIKeyFYCAFJROYNECBB-UHFFFAOYSA-N
MW405.43 g/mol
LogP3.11
Rot. Bonds4

About N-[3-amino-6-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-2-(2,2-difluoroethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide

N-[3-amino-6-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-2-(2,2-difluoroethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide (PubChem CID 135234248) has the molecular formula C17H17F2N7OS and a molecular weight of 405.43 g/mol. Its IUPAC name is N-[3-amino-6-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-2-(2,2-difluoroethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-amino-6-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-2-(2,2-difluoroethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide
PubChem CID135234248
Molecular FormulaC17H17F2N7OS
Molecular Weight405.43 g/mol
Exact Mass405.12
IUPAC NameN-[3-amino-6-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-2-(2,2-difluoroethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide
SMILESCc1ncc(-c2ccc(N)c(NC(=O)N3Cc4cn(CC(F)F)nc4C3)n2)s1
InChIInChI=1S/C17H17F2N7OS/c1-9-21-4-14(28-9)12-3-2-11(20)16(22-12)23-17(27)25-5-10-6-26(8-15(18)19)24-13(10)7-25/h2-4,6,15H,5,7-8,20H2,1H3,(H,22,23,27)
InChIKeyFYCAFJROYNECBB-UHFFFAOYSA-N
XLogP3.11
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-amino-6-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-2-(2,2-difluoroethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-amino-6-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-2-(2,2-difluoroethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide?
The IUPAC name of N-[3-amino-6-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-2-(2,2-difluoroethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide (CID 135234248) is N-[3-amino-6-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-2-(2,2-difluoroethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide.
What is the SMILES notation for N-[3-amino-6-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-2-(2,2-difluoroethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide?
The canonical SMILES for N-[3-amino-6-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-2-(2,2-difluoroethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide is Cc1ncc(-c2ccc(N)c(NC(=O)N3Cc4cn(CC(F)F)nc4C3)n2)s1.
What is the InChIKey of N-[3-amino-6-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-2-(2,2-difluoroethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide?
The InChIKey is FYCAFJROYNECBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N7OS/c1-9-21-4-14(28-9)12-3-2-11(20)16(22-12)23-17(27)25-5-10-6-26(8-15(18)19)24-13(10)7-25/h2-4,6,15H,5,7-8,20H2,1H3,(H,22,23,27).
What are the key properties of N-[3-amino-6-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-2-(2,2-difluoroethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide?
N-[3-amino-6-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-2-(2,2-difluoroethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide has a molecular weight of 405.43 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-6-(2-methyl-1,3-thiazol-5-yl)-2-pyridinyl]-2-(2,2-difluoroethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide is sourced from PubChem (CID 135234248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).