N-[1-(cyclopropylmethyl)-4-methyl-3-pyridin-4-ylpyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine

C22H24N8 — CID 134440399

IUPACN-[1-(cyclopropylmethyl)-4-methyl-3-pyridin-4-ylpyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
SMILESCc1cc(C)n(-c2cc(Nc3c(C)c(-c4ccncc4)nn3CC3CC3)ncn2)n1
InChIInChI=1S/C22H24N8/c1-14-10-15(2)30(27-14)20-11-19(24-13-25-20)26-22-16(3)21(18-6-8-23-9-7-18)28-29(22)12-17-4-5-17/h6-11,13,17H,4-5,12H2,1-3H3,(H,24,25,26)
InChIKeyOCAMDISYJBIMEK-UHFFFAOYSA-N
MW400.49 g/mol
LogP4.00
Rot. Bonds6

About N-[1-(cyclopropylmethyl)-4-methyl-3-pyridin-4-ylpyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine

N-[1-(cyclopropylmethyl)-4-methyl-3-pyridin-4-ylpyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine (PubChem CID 134440399) has the molecular formula C22H24N8 and a molecular weight of 400.49 g/mol. Its IUPAC name is N-[1-(cyclopropylmethyl)-4-methyl-3-pyridin-4-ylpyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(cyclopropylmethyl)-4-methyl-3-pyridin-4-ylpyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
PubChem CID134440399
Molecular FormulaC22H24N8
Molecular Weight400.49 g/mol
Exact Mass400.21
IUPAC NameN-[1-(cyclopropylmethyl)-4-methyl-3-pyridin-4-ylpyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
SMILESCc1cc(C)n(-c2cc(Nc3c(C)c(-c4ccncc4)nn3CC3CC3)ncn2)n1
InChIInChI=1S/C22H24N8/c1-14-10-15(2)30(27-14)20-11-19(24-13-25-20)26-22-16(3)21(18-6-8-23-9-7-18)28-29(22)12-17-4-5-17/h6-11,13,17H,4-5,12H2,1-3H3,(H,24,25,26)
InChIKeyOCAMDISYJBIMEK-UHFFFAOYSA-N
XLogP4.00
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylmethyl)-4-methyl-3-pyridin-4-ylpyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine?
The IUPAC name of N-[1-(cyclopropylmethyl)-4-methyl-3-pyridin-4-ylpyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine (CID 134440399) is N-[1-(cyclopropylmethyl)-4-methyl-3-pyridin-4-ylpyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[1-(cyclopropylmethyl)-4-methyl-3-pyridin-4-ylpyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-[1-(cyclopropylmethyl)-4-methyl-3-pyridin-4-ylpyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine is Cc1cc(C)n(-c2cc(Nc3c(C)c(-c4ccncc4)nn3CC3CC3)ncn2)n1.
What is the InChIKey of N-[1-(cyclopropylmethyl)-4-methyl-3-pyridin-4-ylpyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine?
The InChIKey is OCAMDISYJBIMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8/c1-14-10-15(2)30(27-14)20-11-19(24-13-25-20)26-22-16(3)21(18-6-8-23-9-7-18)28-29(22)12-17-4-5-17/h6-11,13,17H,4-5,12H2,1-3H3,(H,24,25,26).
What are the key properties of N-[1-(cyclopropylmethyl)-4-methyl-3-pyridin-4-ylpyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine?
N-[1-(cyclopropylmethyl)-4-methyl-3-pyridin-4-ylpyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine has a molecular weight of 400.49 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropylmethyl)-4-methyl-3-pyridin-4-ylpyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 134440399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).