2-(azetidin-3-yloxy)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide

C21H19N7O2 — CID 138587826

IUPAC2-(azetidin-3-yloxy)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide
SMILESCn1cc(-c2ccc3cnc(NC(=O)c4ccnc(OC5CNC5)c4)nc3c2)cn1
InChIInChI=1S/C21H19N7O2/c1-28-12-16(9-25-28)13-2-3-15-8-24-21(26-18(15)6-13)27-20(29)14-4-5-23-19(7-14)30-17-10-22-11-17/h2-9,12,17,22H,10-11H2,1H3,(H,24,26,27,29)
InChIKeyJYMZHXAFZRZWQT-UHFFFAOYSA-N
MW401.43 g/mol
LogP2.03
Rot. Bonds5

About 2-(azetidin-3-yloxy)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide

2-(azetidin-3-yloxy)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide (PubChem CID 138587826) has the molecular formula C21H19N7O2 and a molecular weight of 401.43 g/mol. Its IUPAC name is 2-(azetidin-3-yloxy)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(azetidin-3-yloxy)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide
PubChem CID138587826
Molecular FormulaC21H19N7O2
Molecular Weight401.43 g/mol
Exact Mass401.16
IUPAC Name2-(azetidin-3-yloxy)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide
SMILESCn1cc(-c2ccc3cnc(NC(=O)c4ccnc(OC5CNC5)c4)nc3c2)cn1
InChIInChI=1S/C21H19N7O2/c1-28-12-16(9-25-28)13-2-3-15-8-24-21(26-18(15)6-13)27-20(29)14-4-5-23-19(7-14)30-17-10-22-11-17/h2-9,12,17,22H,10-11H2,1H3,(H,24,26,27,29)
InChIKeyJYMZHXAFZRZWQT-UHFFFAOYSA-N
XLogP2.03
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-2-piperidin-4-yloxypyridine-4-carboxamide
CID 138587595
2-[methyl-(1-methylpiperidin-4-yl)amino]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide
CID 138589294
2-(2,7-diazaspiro[3.5]nonan-7-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide
CID 138588324
N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-benzofuran-6-carboxamide
CID 138590788
2-[2-(dimethylamino)ethylamino]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide
CID 138587369
2-[4-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]piperazin-1-yl]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide
CID 138588228
N-[7-[6-(azetidin-3-yloxy)pyrazin-2-yl]quinazolin-2-yl]-4-fluorobenzamide
CID 138587570
2-piperidin-4-yloxy-N-[6-(1-propan-2-ylpyrazol-4-yl)isoquinolin-3-yl]pyridine-4-carboxamide
CID 134444263
(2S)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-2-pyrrolidin-1-ylpropanamide
CID 138591844
N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-2-propan-2-yloxypyridine-4-carboxamide
CID 138591594
2-(4-hydroxypiperidin-1-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]acetamide
CID 138587464
N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-2-(1-propan-2-ylpiperidin-4-yl)oxypyridine-4-carboxamide
CID 138588684

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yloxy)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide?
The IUPAC name of 2-(azetidin-3-yloxy)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide (CID 138587826) is 2-(azetidin-3-yloxy)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(azetidin-3-yloxy)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-(azetidin-3-yloxy)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide is Cn1cc(-c2ccc3cnc(NC(=O)c4ccnc(OC5CNC5)c4)nc3c2)cn1.
What is the InChIKey of 2-(azetidin-3-yloxy)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide?
The InChIKey is JYMZHXAFZRZWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O2/c1-28-12-16(9-25-28)13-2-3-15-8-24-21(26-18(15)6-13)27-20(29)14-4-5-23-19(7-14)30-17-10-22-11-17/h2-9,12,17,22H,10-11H2,1H3,(H,24,26,27,29).
What are the key properties of 2-(azetidin-3-yloxy)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide?
2-(azetidin-3-yloxy)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide has a molecular weight of 401.43 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yloxy)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 138587826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).