N-[4-[[6-cyclopropyl-2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide

C20H21F2N7O — CID 175991041

IUPACN-[4-[[6-cyclopropyl-2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cc(C3CC3)nc(C(C)(F)F)n2)c(-c2ccn(C)n2)cn1
InChIInChI=1S/C20H21F2N7O/c1-11(30)24-17-9-16(13(10-23-17)14-6-7-29(3)28-14)25-18-8-15(12-4-5-12)26-19(27-18)20(2,21)22/h6-10,12H,4-5H2,1-3H3,(H2,23,24,25,26,27,30)
InChIKeyFFJMSUPNWBMGQI-UHFFFAOYSA-N
MW413.43 g/mol
LogP3.96
Rot. Bonds6

About N-[4-[[6-cyclopropyl-2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide

N-[4-[[6-cyclopropyl-2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide (PubChem CID 175991041) has the molecular formula C20H21F2N7O and a molecular weight of 413.43 g/mol. Its IUPAC name is N-[4-[[6-cyclopropyl-2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[[6-cyclopropyl-2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
PubChem CID175991041
Molecular FormulaC20H21F2N7O
Molecular Weight413.43 g/mol
Exact Mass413.18
IUPAC NameN-[4-[[6-cyclopropyl-2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cc(C3CC3)nc(C(C)(F)F)n2)c(-c2ccn(C)n2)cn1
InChIInChI=1S/C20H21F2N7O/c1-11(30)24-17-9-16(13(10-23-17)14-6-7-29(3)28-14)25-18-8-15(12-4-5-12)26-19(27-18)20(2,21)22/h6-10,12H,4-5H2,1-3H3,(H2,23,24,25,26,27,30)
InChIKeyFFJMSUPNWBMGQI-UHFFFAOYSA-N
XLogP3.96
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[[2-(1,1-difluoroethyl)-6-(2-methoxyethoxy)pyrimidin-4-yl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 170730760
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[1-(difluoromethyl)pyrazol-3-yl]-2-pyridinyl]acetamide
CID 175990779
N-[4-[[6-methyl-2-(oxolan-3-yl)pyrimidin-4-yl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 170730825
N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(4-methyl-2-pyridinyl)-2-pyridinyl]acetamide
CID 175991044
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[(4R)-4,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-pyridinyl]acetamide
CID 175990722
N-[4-[[4-(cyclopropylmethoxy)-6-methylsulfonyl-2-pyridinyl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 166918615
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(7-hydroxy-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-pyridinyl]acetamide
CID 170730913
N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(2-ethyltriazol-4-yl)-2-pyridinyl]acetamide
CID 170730438
N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(5-fluoro-2-pyridinyl)-2-pyridinyl]acetamide
CID 175990690
N-[3-bromo-1-[6-cyclopropyl-2-(1,1-difluoroethyl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577618
N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(5-oxo-6,7-dihydrocyclopenta[b]pyridin-2-yl)-2-pyridinyl]acetamide
CID 170730270
N-[4-[(4-ethoxy-6-methylsulfonyl-2-pyridinyl)amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 166918982

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-cyclopropyl-2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[[6-cyclopropyl-2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide (CID 175991041) is N-[4-[[6-cyclopropyl-2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[[6-cyclopropyl-2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[[6-cyclopropyl-2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide is CC(=O)Nc1cc(Nc2cc(C3CC3)nc(C(C)(F)F)n2)c(-c2ccn(C)n2)cn1.
What is the InChIKey of N-[4-[[6-cyclopropyl-2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide?
The InChIKey is FFJMSUPNWBMGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N7O/c1-11(30)24-17-9-16(13(10-23-17)14-6-7-29(3)28-14)25-18-8-15(12-4-5-12)26-19(27-18)20(2,21)22/h6-10,12H,4-5H2,1-3H3,(H2,23,24,25,26,27,30).
What are the key properties of N-[4-[[6-cyclopropyl-2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide?
N-[4-[[6-cyclopropyl-2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide has a molecular weight of 413.43 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-cyclopropyl-2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 175991041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).