6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(cyclopropylmethyl)-3-[6-(difluoromethyl)-3-pyridinyl]-4-methylpyrazol-5-yl]pyrimidin-4-amine

C23H23ClF2N8 — CID 134440197

IUPAC6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(cyclopropylmethyl)-3-[6-(difluoromethyl)-3-pyridinyl]-4-methylpyrazol-5-yl]pyrimidin-4-amine
SMILESCc1nn(-c2cc(Nc3c(C)c(-c4ccc(C(F)F)nc4)nn3CC3CC3)ncn2)c(C)c1Cl
InChIInChI=1S/C23H23ClF2N8/c1-12-21(16-6-7-17(22(25)26)27-9-16)32-33(10-15-4-5-15)23(12)30-18-8-19(29-11-28-18)34-14(3)20(24)13(2)31-34/h6-9,11,15,22H,4-5,10H2,1-3H3,(H,28,29,30)
InChIKeyAXYINLNPYKCZAR-UHFFFAOYSA-N
MW484.94 g/mol
LogP5.59
Rot. Bonds7

About 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(cyclopropylmethyl)-3-[6-(difluoromethyl)-3-pyridinyl]-4-methylpyrazol-5-yl]pyrimidin-4-amine

6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(cyclopropylmethyl)-3-[6-(difluoromethyl)-3-pyridinyl]-4-methylpyrazol-5-yl]pyrimidin-4-amine (PubChem CID 134440197) has the molecular formula C23H23ClF2N8 and a molecular weight of 484.94 g/mol. Its IUPAC name is 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(cyclopropylmethyl)-3-[6-(difluoromethyl)-3-pyridinyl]-4-methylpyrazol-5-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(cyclopropylmethyl)-3-[6-(difluoromethyl)-3-pyridinyl]-4-methylpyrazol-5-yl]pyrimidin-4-amine
PubChem CID134440197
Molecular FormulaC23H23ClF2N8
Molecular Weight484.94 g/mol
Exact Mass484.17
IUPAC Name6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(cyclopropylmethyl)-3-[6-(difluoromethyl)-3-pyridinyl]-4-methylpyrazol-5-yl]pyrimidin-4-amine
SMILESCc1nn(-c2cc(Nc3c(C)c(-c4ccc(C(F)F)nc4)nn3CC3CC3)ncn2)c(C)c1Cl
InChIInChI=1S/C23H23ClF2N8/c1-12-21(16-6-7-17(22(25)26)27-9-16)32-33(10-15-4-5-15)23(12)30-18-8-19(29-11-28-18)34-14(3)20(24)13(2)31-34/h6-9,11,15,22H,4-5,10H2,1-3H3,(H,28,29,30)
InChIKeyAXYINLNPYKCZAR-UHFFFAOYSA-N
XLogP5.59
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.94
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10042950
N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo(1,5-a)pyrimidin-7-amine
CID 44629554
Arylpyrazole, 28
CID 44143428
Arylpyrazole, 31
CID 44143431
Arylpyrazole, 20
CID 44143420
3-(6-{[(1s)-1-(4-Fluorophenyl)ethyl]amino}pyrimidin-4-Yl)pyrazolo[1,5-A]pyrimidin-2-Amine
CID 44159834
(S)-5-Chloro-N4-(5-cyclopropyl-1H-pyrazol-3-yl)-N2-(1-(5-fluoropyridin-2-yl)ethyl)pyrimidine-2,4-diamine
CID 16097528
(R)-3-(6-(1-(4-fluorophenyl)butylamino)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 44159000
(R)-3-(6-(1-(4-fluorophenyl)-2-methylpropylamino)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 44159001
(R)-3-(6-(1-(4-fluorophenyl)ethylamino)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 44160207
5-[5-[(1S,5R)-3-(2,2-difluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 90292674
ORL1 antagonist 1
CID 44143417

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(cyclopropylmethyl)-3-[6-(difluoromethyl)-3-pyridinyl]-4-methylpyrazol-5-yl]pyrimidin-4-amine?
The IUPAC name of 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(cyclopropylmethyl)-3-[6-(difluoromethyl)-3-pyridinyl]-4-methylpyrazol-5-yl]pyrimidin-4-amine (CID 134440197) is 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(cyclopropylmethyl)-3-[6-(difluoromethyl)-3-pyridinyl]-4-methylpyrazol-5-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(cyclopropylmethyl)-3-[6-(difluoromethyl)-3-pyridinyl]-4-methylpyrazol-5-yl]pyrimidin-4-amine?
The canonical SMILES for 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(cyclopropylmethyl)-3-[6-(difluoromethyl)-3-pyridinyl]-4-methylpyrazol-5-yl]pyrimidin-4-amine is Cc1nn(-c2cc(Nc3c(C)c(-c4ccc(C(F)F)nc4)nn3CC3CC3)ncn2)c(C)c1Cl.
What is the InChIKey of 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(cyclopropylmethyl)-3-[6-(difluoromethyl)-3-pyridinyl]-4-methylpyrazol-5-yl]pyrimidin-4-amine?
The InChIKey is AXYINLNPYKCZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClF2N8/c1-12-21(16-6-7-17(22(25)26)27-9-16)32-33(10-15-4-5-15)23(12)30-18-8-19(29-11-28-18)34-14(3)20(24)13(2)31-34/h6-9,11,15,22H,4-5,10H2,1-3H3,(H,28,29,30).
What are the key properties of 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(cyclopropylmethyl)-3-[6-(difluoromethyl)-3-pyridinyl]-4-methylpyrazol-5-yl]pyrimidin-4-amine?
6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(cyclopropylmethyl)-3-[6-(difluoromethyl)-3-pyridinyl]-4-methylpyrazol-5-yl]pyrimidin-4-amine has a molecular weight of 484.94 g/mol, XLogP of 5.59, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(cyclopropylmethyl)-3-[6-(difluoromethyl)-3-pyridinyl]-4-methylpyrazol-5-yl]pyrimidin-4-amine is sourced from PubChem (CID 134440197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).