N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine

C19H23N7 — CID 126887880

IUPACN-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
SMILESCc1cc(NC2CCN(c3nccn4nc(C5CC5)cc34)CC2)ncn1
InChIInChI=1S/C19H23N7/c1-13-10-18(22-12-21-13)23-15-4-7-25(8-5-15)19-17-11-16(14-2-3-14)24-26(17)9-6-20-19/h6,9-12,14-15H,2-5,7-8H2,1H3,(H,21,22,23)
InChIKeyDOQYYDNAPKRXMD-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.79
Rot. Bonds4

About N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine

N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine (PubChem CID 126887880) has the molecular formula C19H23N7 and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
PubChem CID126887880
Molecular FormulaC19H23N7
Molecular Weight349.44 g/mol
Exact Mass349.20
IUPAC NameN-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
SMILESCc1cc(NC2CCN(c3nccn4nc(C5CC5)cc34)CC2)ncn1
InChIInChI=1S/C19H23N7/c1-13-10-18(22-12-21-13)23-15-4-7-25(8-5-15)19-17-11-16(14-2-3-14)24-26(17)9-6-20-19/h6,9-12,14-15H,2-5,7-8H2,1H3,(H,21,22,23)
InChIKeyDOQYYDNAPKRXMD-UHFFFAOYSA-N
XLogP2.79
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine?
The IUPAC name of N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine (CID 126887880) is N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine?
The canonical SMILES for N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine is Cc1cc(NC2CCN(c3nccn4nc(C5CC5)cc34)CC2)ncn1.
What is the InChIKey of N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine?
The InChIKey is DOQYYDNAPKRXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7/c1-13-10-18(22-12-21-13)23-15-4-7-25(8-5-15)19-17-11-16(14-2-3-14)24-26(17)9-6-20-19/h6,9-12,14-15H,2-5,7-8H2,1H3,(H,21,22,23).
What are the key properties of N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine?
N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine has a molecular weight of 349.44 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 126887880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).