4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide

C27H31N7O — CID 142464374

IUPAC4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide
SMILESCN1CCN(C2CCN(c3cnc4c(-c5ccc(C(N)=O)c6ccccc56)cnn4c3)CC2)CC1
InChIInChI=1S/C27H31N7O/c1-31-12-14-33(15-13-31)19-8-10-32(11-9-19)20-16-29-27-25(17-30-34(27)18-20)23-6-7-24(26(28)35)22-5-3-2-4-21(22)23/h2-7,16-19H,8-15H2,1H3,(H2,28,35)
InChIKeyCYEKWHHCIBYOHZ-UHFFFAOYSA-N
MW469.59 g/mol
LogP2.86
Rot. Bonds4

About 4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide

4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide (PubChem CID 142464374) has the molecular formula C27H31N7O and a molecular weight of 469.59 g/mol. Its IUPAC name is 4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide
PubChem CID142464374
Molecular FormulaC27H31N7O
Molecular Weight469.59 g/mol
Exact Mass469.26
IUPAC Name4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide
SMILESCN1CCN(C2CCN(c3cnc4c(-c5ccc(C(N)=O)c6ccccc56)cnn4c3)CC2)CC1
InChIInChI=1S/C27H31N7O/c1-31-12-14-33(15-13-31)19-8-10-32(11-9-19)20-16-29-27-25(17-30-34(27)18-20)23-6-7-24(26(28)35)22-5-3-2-4-21(22)23/h2-7,16-19H,8-15H2,1H3,(H2,28,35)
InChIKeyCYEKWHHCIBYOHZ-UHFFFAOYSA-N
XLogP2.86
TPSA83.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide?
The IUPAC name of 4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide (CID 142464374) is 4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide.
What is the SMILES notation for 4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide?
The canonical SMILES for 4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide is CN1CCN(C2CCN(c3cnc4c(-c5ccc(C(N)=O)c6ccccc56)cnn4c3)CC2)CC1.
What is the InChIKey of 4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide?
The InChIKey is CYEKWHHCIBYOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O/c1-31-12-14-33(15-13-31)19-8-10-32(11-9-19)20-16-29-27-25(17-30-34(27)18-20)23-6-7-24(26(28)35)22-5-3-2-4-21(22)23/h2-7,16-19H,8-15H2,1H3,(H2,28,35).
What are the key properties of 4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide?
4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide has a molecular weight of 469.59 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 142464374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).