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

C23H25ClN8 — CID 134440835

IUPAC6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(cyclopropylmethyl)-4-methyl-3-(6-methyl-3-pyridinyl)pyrazol-5-yl]pyrimidin-4-amine
SMILESCc1ccc(-c2nn(CC3CC3)c(Nc3cc(-n4nc(C)c(Cl)c4C)ncn3)c2C)cn1
InChIInChI=1S/C23H25ClN8/c1-13-5-8-18(10-25-13)22-14(2)23(31(30-22)11-17-6-7-17)28-19-9-20(27-12-26-19)32-16(4)21(24)15(3)29-32/h5,8-10,12,17H,6-7,11H2,1-4H3,(H,26,27,28)
InChIKeyHRULPWNJYBNPCB-UHFFFAOYSA-N
MW448.96 g/mol
LogP4.96
Rot. Bonds6

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

6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(cyclopropylmethyl)-4-methyl-3-(6-methyl-3-pyridinyl)pyrazol-5-yl]pyrimidin-4-amine (PubChem CID 134440835) has the molecular formula C23H25ClN8 and a molecular weight of 448.96 g/mol. Its IUPAC name is 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(cyclopropylmethyl)-4-methyl-3-(6-methyl-3-pyridinyl)pyrazol-5-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(cyclopropylmethyl)-4-methyl-3-(6-methyl-3-pyridinyl)pyrazol-5-yl]pyrimidin-4-amine
PubChem CID134440835
Molecular FormulaC23H25ClN8
Molecular Weight448.96 g/mol
Exact Mass448.19
IUPAC Name6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(cyclopropylmethyl)-4-methyl-3-(6-methyl-3-pyridinyl)pyrazol-5-yl]pyrimidin-4-amine
SMILESCc1ccc(-c2nn(CC3CC3)c(Nc3cc(-n4nc(C)c(Cl)c4C)ncn3)c2C)cn1
InChIInChI=1S/C23H25ClN8/c1-13-5-8-18(10-25-13)22-14(2)23(31(30-22)11-17-6-7-17)28-19-9-20(27-12-26-19)32-16(4)21(24)15(3)29-32/h5,8-10,12,17H,6-7,11H2,1-4H3,(H,26,27,28)
InChIKeyHRULPWNJYBNPCB-UHFFFAOYSA-N
XLogP4.96
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.96
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(cyclopropylmethyl)-4-methyl-3-(6-methyl-3-pyridinyl)pyrazol-5-yl]pyrimidin-4-amine?
The IUPAC name of 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(cyclopropylmethyl)-4-methyl-3-(6-methyl-3-pyridinyl)pyrazol-5-yl]pyrimidin-4-amine (CID 134440835) is 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(cyclopropylmethyl)-4-methyl-3-(6-methyl-3-pyridinyl)pyrazol-5-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(cyclopropylmethyl)-4-methyl-3-(6-methyl-3-pyridinyl)pyrazol-5-yl]pyrimidin-4-amine?
The canonical SMILES for 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(cyclopropylmethyl)-4-methyl-3-(6-methyl-3-pyridinyl)pyrazol-5-yl]pyrimidin-4-amine is Cc1ccc(-c2nn(CC3CC3)c(Nc3cc(-n4nc(C)c(Cl)c4C)ncn3)c2C)cn1.
What is the InChIKey of 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(cyclopropylmethyl)-4-methyl-3-(6-methyl-3-pyridinyl)pyrazol-5-yl]pyrimidin-4-amine?
The InChIKey is HRULPWNJYBNPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN8/c1-13-5-8-18(10-25-13)22-14(2)23(31(30-22)11-17-6-7-17)28-19-9-20(27-12-26-19)32-16(4)21(24)15(3)29-32/h5,8-10,12,17H,6-7,11H2,1-4H3,(H,26,27,28).
What are the key properties of 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(cyclopropylmethyl)-4-methyl-3-(6-methyl-3-pyridinyl)pyrazol-5-yl]pyrimidin-4-amine?
6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(cyclopropylmethyl)-4-methyl-3-(6-methyl-3-pyridinyl)pyrazol-5-yl]pyrimidin-4-amine has a molecular weight of 448.96 g/mol, XLogP of 4.96, 6 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)-4-methyl-3-(6-methyl-3-pyridinyl)pyrazol-5-yl]pyrimidin-4-amine is sourced from PubChem (CID 134440835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).