5-chloro-N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-N-methylpyrimidin-2-amine

C19H22ClN7 — CID 155981617

IUPAC5-chloro-N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-N-methylpyrimidin-2-amine
SMILESCN(c1ncc(Cl)cn1)C1CCN(c2nccn3nc(C4CC4)cc23)CC1
InChIInChI=1S/C19H22ClN7/c1-25(19-22-11-14(20)12-23-19)15-4-7-26(8-5-15)18-17-10-16(13-2-3-13)24-27(17)9-6-21-18/h6,9-13,15H,2-5,7-8H2,1H3
InChIKeyVSENEKHHQQETPO-UHFFFAOYSA-N
MW383.89 g/mol
LogP3.16
Rot. Bonds4

About 5-chloro-N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-N-methylpyrimidin-2-amine

5-chloro-N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-N-methylpyrimidin-2-amine (PubChem CID 155981617) has the molecular formula C19H22ClN7 and a molecular weight of 383.89 g/mol. Its IUPAC name is 5-chloro-N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-N-methylpyrimidin-2-amine
PubChem CID155981617
Molecular FormulaC19H22ClN7
Molecular Weight383.89 g/mol
Exact Mass383.16
IUPAC Name5-chloro-N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-N-methylpyrimidin-2-amine
SMILESCN(c1ncc(Cl)cn1)C1CCN(c2nccn3nc(C4CC4)cc23)CC1
InChIInChI=1S/C19H22ClN7/c1-25(19-22-11-14(20)12-23-19)15-4-7-26(8-5-15)18-17-10-16(13-2-3-13)24-27(17)9-6-21-18/h6,9-13,15H,2-5,7-8H2,1H3
InChIKeyVSENEKHHQQETPO-UHFFFAOYSA-N
XLogP3.16
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.89
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-N-methylpyrimidin-2-amine?
The IUPAC name of 5-chloro-N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-N-methylpyrimidin-2-amine (CID 155981617) is 5-chloro-N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-N-methylpyrimidin-2-amine is CN(c1ncc(Cl)cn1)C1CCN(c2nccn3nc(C4CC4)cc23)CC1.
What is the InChIKey of 5-chloro-N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-N-methylpyrimidin-2-amine?
The InChIKey is VSENEKHHQQETPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN7/c1-25(19-22-11-14(20)12-23-19)15-4-7-26(8-5-15)18-17-10-16(13-2-3-13)24-27(17)9-6-21-18/h6,9-13,15H,2-5,7-8H2,1H3.
What are the key properties of 5-chloro-N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-N-methylpyrimidin-2-amine?
5-chloro-N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-N-methylpyrimidin-2-amine has a molecular weight of 383.89 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 155981617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).