2-[[5-chloro-2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylamino)-4-pyridinyl]amino]-N-methoxybenzamide

C19H19ClN6O3 — CID 162658788

IUPAC2-[[5-chloro-2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylamino)-4-pyridinyl]amino]-N-methoxybenzamide
SMILESCONC(=O)c1ccccc1Nc1cc(Nc2cnn3c2COCC3)ncc1Cl
InChIInChI=1S/C19H19ClN6O3/c1-28-25-19(27)12-4-2-3-5-14(12)23-15-8-18(21-9-13(15)20)24-16-10-22-26-6-7-29-11-17(16)26/h2-5,8-10H,6-7,11H2,1H3,(H,25,27)(H2,21,23,24)
InChIKeyWEDALECILMSCRD-UHFFFAOYSA-N
MW414.85 g/mol
LogP3.24
Rot. Bonds6

About 2-[[5-chloro-2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylamino)-4-pyridinyl]amino]-N-methoxybenzamide

2-[[5-chloro-2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylamino)-4-pyridinyl]amino]-N-methoxybenzamide (PubChem CID 162658788) has the molecular formula C19H19ClN6O3 and a molecular weight of 414.85 g/mol. Its IUPAC name is 2-[[5-chloro-2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylamino)-4-pyridinyl]amino]-N-methoxybenzamide.

Molecular Properties

Compound Name2-[[5-chloro-2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylamino)-4-pyridinyl]amino]-N-methoxybenzamide
PubChem CID162658788
Molecular FormulaC19H19ClN6O3
Molecular Weight414.85 g/mol
Exact Mass414.12
IUPAC Name2-[[5-chloro-2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylamino)-4-pyridinyl]amino]-N-methoxybenzamide
SMILESCONC(=O)c1ccccc1Nc1cc(Nc2cnn3c2COCC3)ncc1Cl
InChIInChI=1S/C19H19ClN6O3/c1-28-25-19(27)12-4-2-3-5-14(12)23-15-8-18(21-9-13(15)20)24-16-10-22-26-6-7-29-11-17(16)26/h2-5,8-10H,6-7,11H2,1H3,(H,25,27)(H2,21,23,24)
InChIKeyWEDALECILMSCRD-UHFFFAOYSA-N
XLogP3.24
TPSA102.33 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.85
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[5-chloro-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylamino)-4-pyridinyl]amino]-N-methoxybenzamide
CID 141731693
2-[[5-chloro-2-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide
CID 141731697
2-[[5-chloro-2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylamino)-4-pyridinyl]amino]-N-methoxybenzamide
CID 141731699
2-[[5-chloro-2-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide
CID 141731711
2-[[5-chloro-2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylamino)-4-pyridinyl]amino]-N-methoxybenzamide
CID 141731718
US10717746, Example 11
CID 124155203
2-[[5-chloro-2-[(5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide
CID 141731662
2-[[5-chloro-2-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide
CID 141731677
2-[[5-chloro-2-[(4-hydroxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide
CID 141731683
2-[[5-chloro-2-[(5,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyridin-3-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide
CID 141731694
2-[[5-chloro-2-[[5-(2-morpholin-4-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]amino]-4-pyridinyl]amino]-N-methoxybenzamide
CID 162645542
N-(5-chloro-6-(2H-1,2,3-triazol-2-yl)pyridin-3-yl)-5-(1-methoxyethyl)-1-(quinolin-5-yl)-1H-pyrazole-4-carboxamide
CID 134609883

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylamino)-4-pyridinyl]amino]-N-methoxybenzamide?
The IUPAC name of 2-[[5-chloro-2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylamino)-4-pyridinyl]amino]-N-methoxybenzamide (CID 162658788) is 2-[[5-chloro-2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylamino)-4-pyridinyl]amino]-N-methoxybenzamide.
What is the SMILES notation for 2-[[5-chloro-2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylamino)-4-pyridinyl]amino]-N-methoxybenzamide?
The canonical SMILES for 2-[[5-chloro-2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylamino)-4-pyridinyl]amino]-N-methoxybenzamide is CONC(=O)c1ccccc1Nc1cc(Nc2cnn3c2COCC3)ncc1Cl.
What is the InChIKey of 2-[[5-chloro-2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylamino)-4-pyridinyl]amino]-N-methoxybenzamide?
The InChIKey is WEDALECILMSCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN6O3/c1-28-25-19(27)12-4-2-3-5-14(12)23-15-8-18(21-9-13(15)20)24-16-10-22-26-6-7-29-11-17(16)26/h2-5,8-10H,6-7,11H2,1H3,(H,25,27)(H2,21,23,24).
What are the key properties of 2-[[5-chloro-2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylamino)-4-pyridinyl]amino]-N-methoxybenzamide?
2-[[5-chloro-2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylamino)-4-pyridinyl]amino]-N-methoxybenzamide has a molecular weight of 414.85 g/mol, XLogP of 3.24, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-ylamino)-4-pyridinyl]amino]-N-methoxybenzamide is sourced from PubChem (CID 162658788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).