N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1,7-naphthyridine-8-carboxamide

C17H17N5O2 — CID 136586548

IUPACN-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1,7-naphthyridine-8-carboxamide
SMILESCn1cc([C@@H]2OCC[C@H]2NC(=O)c2nccc3cccnc23)cn1
InChIInChI=1S/C17H17N5O2/c1-22-10-12(9-20-22)16-13(5-8-24-16)21-17(23)15-14-11(4-7-19-15)3-2-6-18-14/h2-4,6-7,9-10,13,16H,5,8H2,1H3,(H,21,23)/t13-,16+/m1/s1
InChIKeyHMTRJPKYXMDKHS-CJNGLKHVSA-N
MW323.36 g/mol
LogP1.62
Rot. Bonds3

About N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1,7-naphthyridine-8-carboxamide

N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1,7-naphthyridine-8-carboxamide (PubChem CID 136586548) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1,7-naphthyridine-8-carboxamide.

Molecular Properties

Compound NameN-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1,7-naphthyridine-8-carboxamide
PubChem CID136586548
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC NameN-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1,7-naphthyridine-8-carboxamide
SMILESCn1cc([C@@H]2OCC[C@H]2NC(=O)c2nccc3cccnc23)cn1
InChIInChI=1S/C17H17N5O2/c1-22-10-12(9-20-22)16-13(5-8-24-16)21-17(23)15-14-11(4-7-19-15)3-2-6-18-14/h2-4,6-7,9-10,13,16H,5,8H2,1H3,(H,21,23)/t13-,16+/m1/s1
InChIKeyHMTRJPKYXMDKHS-CJNGLKHVSA-N
XLogP1.62
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1,7-naphthyridine-8-carboxamide?
The IUPAC name of N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1,7-naphthyridine-8-carboxamide (CID 136586548) is N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1,7-naphthyridine-8-carboxamide.
What is the SMILES notation for N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1,7-naphthyridine-8-carboxamide?
The canonical SMILES for N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1,7-naphthyridine-8-carboxamide is Cn1cc([C@@H]2OCC[C@H]2NC(=O)c2nccc3cccnc23)cn1.
What is the InChIKey of N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1,7-naphthyridine-8-carboxamide?
The InChIKey is HMTRJPKYXMDKHS-CJNGLKHVSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-22-10-12(9-20-22)16-13(5-8-24-16)21-17(23)15-14-11(4-7-19-15)3-2-6-18-14/h2-4,6-7,9-10,13,16H,5,8H2,1H3,(H,21,23)/t13-,16+/m1/s1.
What are the key properties of N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1,7-naphthyridine-8-carboxamide?
N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1,7-naphthyridine-8-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1,7-naphthyridine-8-carboxamide is sourced from PubChem (CID 136586548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).