N-[4-[3-(3-chloro-2-methoxyanilino)-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl]-1,7-naphthyridin-6-yl]prop-2-enamide

C24H20ClN7O3 — CID 163235614

IUPACN-[4-[3-(3-chloro-2-methoxyanilino)-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl]-1,7-naphthyridin-6-yl]prop-2-enamide
SMILESC=CC(=O)Nc1cc2c(-c3nn4c(c3Nc3cccc(Cl)c3OC)C(=O)NCC4)ccnc2cn1
InChIInChI=1S/C24H20ClN7O3/c1-3-19(33)30-18-11-14-13(7-8-26-17(14)12-28-18)20-21(22-24(34)27-9-10-32(22)31-20)29-16-6-4-5-15(25)23(16)35-2/h3-8,11-12,29H,1,9-10H2,2H3,(H,27,34)(H,28,30,33)
InChIKeyMBQGUXCVABNQQX-UHFFFAOYSA-N
MW489.92 g/mol
LogP3.77
Rot. Bonds6

About N-[4-[3-(3-chloro-2-methoxyanilino)-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl]-1,7-naphthyridin-6-yl]prop-2-enamide

N-[4-[3-(3-chloro-2-methoxyanilino)-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl]-1,7-naphthyridin-6-yl]prop-2-enamide (PubChem CID 163235614) has the molecular formula C24H20ClN7O3 and a molecular weight of 489.92 g/mol. Its IUPAC name is N-[4-[3-(3-chloro-2-methoxyanilino)-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl]-1,7-naphthyridin-6-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[3-(3-chloro-2-methoxyanilino)-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl]-1,7-naphthyridin-6-yl]prop-2-enamide
PubChem CID163235614
Molecular FormulaC24H20ClN7O3
Molecular Weight489.92 g/mol
Exact Mass489.13
IUPAC NameN-[4-[3-(3-chloro-2-methoxyanilino)-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl]-1,7-naphthyridin-6-yl]prop-2-enamide
SMILESC=CC(=O)Nc1cc2c(-c3nn4c(c3Nc3cccc(Cl)c3OC)C(=O)NCC4)ccnc2cn1
InChIInChI=1S/C24H20ClN7O3/c1-3-19(33)30-18-11-14-13(7-8-26-17(14)12-28-18)20-21(22-24(34)27-9-10-32(22)31-20)29-16-6-4-5-15(25)23(16)35-2/h3-8,11-12,29H,1,9-10H2,2H3,(H,27,34)(H,28,30,33)
InChIKeyMBQGUXCVABNQQX-UHFFFAOYSA-N
XLogP3.77
TPSA123.06 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.92
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[4-[3-(3-chloro-2-methoxyanilino)-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl]-1,7-naphthyridin-6-yl]prop-2-enamide with MolForge

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Related Compounds

3-(3-chloro-2-methoxyanilino)-2-[3-(2-methoxyethoxy)-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 163235425
3-(3-chloro-2-methoxyanilino)-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 163235466
3-(3-chloro-2-methoxyanilino)-2-[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 163235472
(7S)-3-(3-chloro-2-methoxyanilino)-7-methyl-2-(1H-pyrazolo[4,3-b]pyridin-7-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 163235635
(7S)-3-(3-chloro-2-methoxyanilino)-7-methyl-2-([1,2]thiazolo[4,5-b]pyridin-7-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 163235486
3-(3-chloro-2-methoxyanilino)-2-[3-[[(2R)-2-methyl-1-prop-2-enoylazetidin-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 163223830
3-(3-chloro-2-methoxyanilino)-2-[3-[(2-methyl-1-prop-2-enoylazetidin-2-yl)methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 163223663
N-[(3S)-3-[2-[4-[3-(3-chloro-2-methoxyanilino)-4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl]-3-pyridinyl]ethynyl]-1-methylpyrrolidin-3-yl]prop-2-enamide
CID 163223994
N-[1-[2-[4-[3-(3-chloro-2-methoxyanilino)-4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl]-3-pyridinyl]ethynyl]cyclopropyl]prop-2-enamide
CID 163223768
3-(3-chloro-2-methoxyanilino)-2-[3-[2-[(2S)-2-methyl-1-prop-2-enoylazetidin-2-yl]ethynyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 163224704
N-[(2S)-4-[4-[3-(3-chloro-2-methoxyanilino)-4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl]-3-pyridinyl]but-3-yn-2-yl]prop-2-enamide
CID 163223906
3-(3-chloro-2-methoxyanilino)-2-[3-[[(2S)-1-prop-2-enoylpiperidin-2-yl]methoxy]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 163224230

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(3-chloro-2-methoxyanilino)-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl]-1,7-naphthyridin-6-yl]prop-2-enamide?
The IUPAC name of N-[4-[3-(3-chloro-2-methoxyanilino)-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl]-1,7-naphthyridin-6-yl]prop-2-enamide (CID 163235614) is N-[4-[3-(3-chloro-2-methoxyanilino)-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl]-1,7-naphthyridin-6-yl]prop-2-enamide.
What is the SMILES notation for N-[4-[3-(3-chloro-2-methoxyanilino)-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl]-1,7-naphthyridin-6-yl]prop-2-enamide?
The canonical SMILES for N-[4-[3-(3-chloro-2-methoxyanilino)-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl]-1,7-naphthyridin-6-yl]prop-2-enamide is C=CC(=O)Nc1cc2c(-c3nn4c(c3Nc3cccc(Cl)c3OC)C(=O)NCC4)ccnc2cn1.
What is the InChIKey of N-[4-[3-(3-chloro-2-methoxyanilino)-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl]-1,7-naphthyridin-6-yl]prop-2-enamide?
The InChIKey is MBQGUXCVABNQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN7O3/c1-3-19(33)30-18-11-14-13(7-8-26-17(14)12-28-18)20-21(22-24(34)27-9-10-32(22)31-20)29-16-6-4-5-15(25)23(16)35-2/h3-8,11-12,29H,1,9-10H2,2H3,(H,27,34)(H,28,30,33).
What are the key properties of N-[4-[3-(3-chloro-2-methoxyanilino)-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl]-1,7-naphthyridin-6-yl]prop-2-enamide?
N-[4-[3-(3-chloro-2-methoxyanilino)-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl]-1,7-naphthyridin-6-yl]prop-2-enamide has a molecular weight of 489.92 g/mol, XLogP of 3.77, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(3-chloro-2-methoxyanilino)-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl]-1,7-naphthyridin-6-yl]prop-2-enamide is sourced from PubChem (CID 163235614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).