6-chloro-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methyl-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine

C23H24ClN7O — CID 56949364

IUPAC6-chloro-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methyl-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine
SMILESCc1cc(CNc2nc(OC[C@H]3C[C@@H]3c3ccc4ncccc4n3)nc(Cl)c2C)n(C)n1
InChIInChI=1S/C23H24ClN7O/c1-13-9-16(31(3)30-13)11-26-22-14(2)21(24)28-23(29-22)32-12-15-10-17(15)18-6-7-19-20(27-18)5-4-8-25-19/h4-9,15,17H,10-12H2,1-3H3,(H,26,28,29)/t15-,17+/m1/s1
InChIKeyHVNZVIXEOLYJRG-WBVHZDCISA-N
MW449.95 g/mol
LogP4.22
Rot. Bonds7

About 6-chloro-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methyl-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine

6-chloro-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methyl-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine (PubChem CID 56949364) has the molecular formula C23H24ClN7O and a molecular weight of 449.95 g/mol. Its IUPAC name is 6-chloro-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methyl-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methyl-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine
PubChem CID56949364
Molecular FormulaC23H24ClN7O
Molecular Weight449.95 g/mol
Exact Mass449.17
IUPAC Name6-chloro-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methyl-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine
SMILESCc1cc(CNc2nc(OC[C@H]3C[C@@H]3c3ccc4ncccc4n3)nc(Cl)c2C)n(C)n1
InChIInChI=1S/C23H24ClN7O/c1-13-9-16(31(3)30-13)11-26-22-14(2)21(24)28-23(29-22)32-12-15-10-17(15)18-6-7-19-20(27-18)5-4-8-25-19/h4-9,15,17H,10-12H2,1-3H3,(H,26,28,29)/t15-,17+/m1/s1
InChIKeyHVNZVIXEOLYJRG-WBVHZDCISA-N
XLogP4.22
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.95
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-chloro-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methyl-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine with MolForge

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Related Compounds

N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-4-amine
CID 71272176
N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[[2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine
CID 71271972
4-[(2,5-dimethylpyrazol-3-yl)methylamino]-6-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyridazin-3-one
CID 123233992
[(1R,2R)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methanol
CID 66836942
6-[[(1S,2S)-2-[5-(difluoromethoxy)-2-pyridinyl]cyclopropyl]methoxy]-4-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-methylpyridazin-3-one
CID 90419215
2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-1,5-naphthyridine
CID 140658804
acetylene;6-(cyclopropylmethoxy)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpyrimidin-4-amine;3-methylpyridine
CID 144538325
N-[(2,5-dimethylpyrazol-3-yl)methyl]quinoxaline-6-carboxamide
CID 74250263
1,5-dimethyl-4-[2-methyl-4-[[(2R)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one
CID 129160122
6-chloro-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 63728239
6-[[(2R)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(2-methyl-3-pyridinyl)methylamino]pyridazin-3-one
CID 144699882
2-(4-chlorophenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 19292791

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methyl-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methyl-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine (CID 56949364) is 6-chloro-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methyl-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methyl-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methyl-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine is Cc1cc(CNc2nc(OC[C@H]3C[C@@H]3c3ccc4ncccc4n3)nc(Cl)c2C)n(C)n1.
What is the InChIKey of 6-chloro-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methyl-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine?
The InChIKey is HVNZVIXEOLYJRG-WBVHZDCISA-N. The full InChI is InChI=1S/C23H24ClN7O/c1-13-9-16(31(3)30-13)11-26-22-14(2)21(24)28-23(29-22)32-12-15-10-17(15)18-6-7-19-20(27-18)5-4-8-25-19/h4-9,15,17H,10-12H2,1-3H3,(H,26,28,29)/t15-,17+/m1/s1.
What are the key properties of 6-chloro-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methyl-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine?
6-chloro-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methyl-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine has a molecular weight of 449.95 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methyl-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine is sourced from PubChem (CID 56949364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).