6-[1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine

C22H29N7O — CID 92604505

IUPAC6-[1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCNc1cc(C2CCN(Cc3c(C)nn(C)c3OC)CC2)nc(-c2cccnc2)n1
InChIInChI=1S/C22H29N7O/c1-15-18(22(30-4)28(3)27-15)14-29-10-7-16(8-11-29)19-12-20(23-2)26-21(25-19)17-6-5-9-24-13-17/h5-6,9,12-13,16H,7-8,10-11,14H2,1-4H3,(H,23,25,26)
InChIKeyYAOLROUNYPZCGT-UHFFFAOYSA-N
MW407.52 g/mol
LogP3.01
Rot. Bonds6

About 6-[1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine

6-[1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine (PubChem CID 92604505) has the molecular formula C22H29N7O and a molecular weight of 407.52 g/mol. Its IUPAC name is 6-[1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine
PubChem CID92604505
Molecular FormulaC22H29N7O
Molecular Weight407.52 g/mol
Exact Mass407.24
IUPAC Name6-[1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCNc1cc(C2CCN(Cc3c(C)nn(C)c3OC)CC2)nc(-c2cccnc2)n1
InChIInChI=1S/C22H29N7O/c1-15-18(22(30-4)28(3)27-15)14-29-10-7-16(8-11-29)19-12-20(23-2)26-21(25-19)17-6-5-9-24-13-17/h5-6,9,12-13,16H,7-8,10-11,14H2,1-4H3,(H,23,25,26)
InChIKeyYAOLROUNYPZCGT-UHFFFAOYSA-N
XLogP3.01
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of 6-[1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine (CID 92604505) is 6-[1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for 6-[1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for 6-[1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine is CNc1cc(C2CCN(Cc3c(C)nn(C)c3OC)CC2)nc(-c2cccnc2)n1.
What is the InChIKey of 6-[1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is YAOLROUNYPZCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O/c1-15-18(22(30-4)28(3)27-15)14-29-10-7-16(8-11-29)19-12-20(23-2)26-21(25-19)17-6-5-9-24-13-17/h5-6,9,12-13,16H,7-8,10-11,14H2,1-4H3,(H,23,25,26).
What are the key properties of 6-[1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine?
6-[1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 407.52 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 92604505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).