N-[4-[[2-(1,1-difluoroethyl)-6-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide

C20H23F2N7O2 — CID 170731271

IUPACN-[4-[[2-(1,1-difluoroethyl)-6-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide
SMILESCOc1cnc(NC(C)=O)cc1Nc1cc(-c2cnn(C(C)C)c2)nc(C(C)(F)F)n1
InChIInChI=1S/C20H23F2N7O2/c1-11(2)29-10-13(8-24-29)14-6-18(28-19(27-14)20(4,21)22)26-15-7-17(25-12(3)30)23-9-16(15)31-5/h6-11H,1-5H3,(H2,23,25,26,27,28,30)
InChIKeyNWSIQTVUJHCKQX-UHFFFAOYSA-N
MW431.45 g/mol
LogP4.14
Rot. Bonds7

About N-[4-[[2-(1,1-difluoroethyl)-6-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide

N-[4-[[2-(1,1-difluoroethyl)-6-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide (PubChem CID 170731271) has the molecular formula C20H23F2N7O2 and a molecular weight of 431.45 g/mol. Its IUPAC name is N-[4-[[2-(1,1-difluoroethyl)-6-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(1,1-difluoroethyl)-6-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide
PubChem CID170731271
Molecular FormulaC20H23F2N7O2
Molecular Weight431.45 g/mol
Exact Mass431.19
IUPAC NameN-[4-[[2-(1,1-difluoroethyl)-6-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide
SMILESCOc1cnc(NC(C)=O)cc1Nc1cc(-c2cnn(C(C)C)c2)nc(C(C)(F)F)n1
InChIInChI=1S/C20H23F2N7O2/c1-11(2)29-10-13(8-24-29)14-6-18(28-19(27-14)20(4,21)22)26-15-7-17(25-12(3)30)23-9-16(15)31-5/h6-11H,1-5H3,(H2,23,25,26,27,28,30)
InChIKeyNWSIQTVUJHCKQX-UHFFFAOYSA-N
XLogP4.14
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[[2-(1,1-difluoroethyl)-6-(5-methyl-3-pyridinyl)pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide
CID 175990957
N-[4-[[2-(1,1-difluoroethyl)-6-propan-2-ylpyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide
CID 170731337
N-[4-[[2-(1,1-difluoroethyl)-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide
CID 175990721
N-[4-[[2-(1,1-difluoroethyl)-6-methoxypyrimidin-4-yl]amino]-5-ethoxy-2-pyridinyl]acetamide
CID 175990672
N-[4-[[2-(1,1-difluoroethyl)-6-propan-2-ylpyrimidin-4-yl]amino]-5-ethoxy-2-pyridinyl]acetamide
CID 170730400
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]acetamide
CID 170730971
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[(2R)-2-methoxybutoxy]-2-pyridinyl]acetamide
CID 175990661
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[(2-methoxyphenyl)methoxy]-2-pyridinyl]acetamide
CID 170730480
N-[4-[[6-cyclopropyloxy-2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[(2S)-2-methoxypropoxy]-2-pyridinyl]acetamide
CID 170730824
N-[4-[[2-(1,1-difluoroethyl)-6-ethylpyrimidin-4-yl]amino]-5-[2-(4-methylpiperazin-1-yl)ethoxy]-2-pyridinyl]acetamide
CID 175990656
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[(4,6-dimethylpyrimidin-5-yl)methoxy]-2-pyridinyl]acetamide
CID 170730658
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[2-(methoxymethyl)triazol-4-yl]-2-pyridinyl]acetamide
CID 170730784

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(1,1-difluoroethyl)-6-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[[2-(1,1-difluoroethyl)-6-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide (CID 170731271) is N-[4-[[2-(1,1-difluoroethyl)-6-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[[2-(1,1-difluoroethyl)-6-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[[2-(1,1-difluoroethyl)-6-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide is COc1cnc(NC(C)=O)cc1Nc1cc(-c2cnn(C(C)C)c2)nc(C(C)(F)F)n1.
What is the InChIKey of N-[4-[[2-(1,1-difluoroethyl)-6-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide?
The InChIKey is NWSIQTVUJHCKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N7O2/c1-11(2)29-10-13(8-24-29)14-6-18(28-19(27-14)20(4,21)22)26-15-7-17(25-12(3)30)23-9-16(15)31-5/h6-11H,1-5H3,(H2,23,25,26,27,28,30).
What are the key properties of N-[4-[[2-(1,1-difluoroethyl)-6-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide?
N-[4-[[2-(1,1-difluoroethyl)-6-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide has a molecular weight of 431.45 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(1,1-difluoroethyl)-6-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-yl]amino]-5-methoxy-2-pyridinyl]acetamide is sourced from PubChem (CID 170731271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).