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

C26H28N6O2 — CID 142464343

IUPAC4-[6-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide
SMILESNC(=O)c1ccc(-c2cnn3cc(N4CCC(N5CCOCC5)CC4)cnc23)c2ccccc12
InChIInChI=1S/C26H28N6O2/c27-25(33)23-6-5-22(20-3-1-2-4-21(20)23)24-16-29-32-17-19(15-28-26(24)32)30-9-7-18(8-10-30)31-11-13-34-14-12-31/h1-6,15-18H,7-14H2,(H2,27,33)
InChIKeyFNLLQYALTRNUPC-UHFFFAOYSA-N
MW456.55 g/mol
LogP2.95
Rot. Bonds4

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

4-[6-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide (PubChem CID 142464343) has the molecular formula C26H28N6O2 and a molecular weight of 456.55 g/mol. Its IUPAC name is 4-[6-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name4-[6-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide
PubChem CID142464343
Molecular FormulaC26H28N6O2
Molecular Weight456.55 g/mol
Exact Mass456.23
IUPAC Name4-[6-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide
SMILESNC(=O)c1ccc(-c2cnn3cc(N4CCC(N5CCOCC5)CC4)cnc23)c2ccccc12
InChIInChI=1S/C26H28N6O2/c27-25(33)23-6-5-22(20-3-1-2-4-21(20)23)24-16-29-32-17-19(15-28-26(24)32)30-9-7-18(8-10-30)31-11-13-34-14-12-31/h1-6,15-18H,7-14H2,(H2,27,33)
InChIKeyFNLLQYALTRNUPC-UHFFFAOYSA-N
XLogP2.95
TPSA88.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide?
The IUPAC name of 4-[6-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide (CID 142464343) is 4-[6-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide.
What is the SMILES notation for 4-[6-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide?
The canonical SMILES for 4-[6-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide is NC(=O)c1ccc(-c2cnn3cc(N4CCC(N5CCOCC5)CC4)cnc23)c2ccccc12.
What is the InChIKey of 4-[6-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide?
The InChIKey is FNLLQYALTRNUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O2/c27-25(33)23-6-5-22(20-3-1-2-4-21(20)23)24-16-29-32-17-19(15-28-26(24)32)30-9-7-18(8-10-30)31-11-13-34-14-12-31/h1-6,15-18H,7-14H2,(H2,27,33).
What are the key properties of 4-[6-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide?
4-[6-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide has a molecular weight of 456.55 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 142464343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).