7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[4,5-difluoro-2-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one

C24H21ClF2N6O2 — CID 146270496

IUPAC7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[4,5-difluoro-2-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
SMILESCn1nccc1Nc1cc(-c2cc3n(c2)CCN(Cc2cc(F)c(F)cc2CO)C3=O)c(Cl)cn1
InChIInChI=1S/C24H21ClF2N6O2/c1-31-23(2-3-29-31)30-22-9-17(18(25)10-28-22)15-8-21-24(35)33(5-4-32(21)12-15)11-14-6-19(26)20(27)7-16(14)13-34/h2-3,6-10,12,34H,4-5,11,13H2,1H3,(H,28,30)
InChIKeyOMYVAHDNTXVLAH-UHFFFAOYSA-N
MW498.92 g/mol
LogP4.11
Rot. Bonds6

About 7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[4,5-difluoro-2-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one

7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[4,5-difluoro-2-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one (PubChem CID 146270496) has the molecular formula C24H21ClF2N6O2 and a molecular weight of 498.92 g/mol. Its IUPAC name is 7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[4,5-difluoro-2-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[4,5-difluoro-2-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
PubChem CID146270496
Molecular FormulaC24H21ClF2N6O2
Molecular Weight498.92 g/mol
Exact Mass498.14
IUPAC Name7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[4,5-difluoro-2-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
SMILESCn1nccc1Nc1cc(-c2cc3n(c2)CCN(Cc2cc(F)c(F)cc2CO)C3=O)c(Cl)cn1
InChIInChI=1S/C24H21ClF2N6O2/c1-31-23(2-3-29-31)30-22-9-17(18(25)10-28-22)15-8-21-24(35)33(5-4-32(21)12-15)11-14-6-19(26)20(27)7-16(14)13-34/h2-3,6-10,12,34H,4-5,11,13H2,1H3,(H,28,30)
InChIKeyOMYVAHDNTXVLAH-UHFFFAOYSA-N
XLogP4.11
TPSA88.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.92
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[4,5-difluoro-2-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one with MolForge

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Related Compounds

7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[(3-fluorophenyl)methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 146270387
7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[4,5-difluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)pyrrolo[1,2-a]pyrazin-1-one
CID 167179327
5-chloro-4-[5-[(2-fluorophenyl)methyl]-3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-11-yl]-N-(2-methylpyrazol-3-yl)pyridin-2-amine
CID 155376375
8-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-2-[[4-fluoro-2-(hydroxymethyl)phenyl]methyl]spiro[3,5-dihydropyrrolo[1,2-a][1,4]diazepine-4,3'-oxetane]-1-one
CID 146270413
(3R)-7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 153371850
5-chloro-N-(2-methylpyrazol-3-yl)-4-[5-(1,1,2,2-tetrafluoroethyl)-3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-11-yl]pyridin-2-amine
CID 155376657
8-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-4,4-bis(hydroxymethyl)-2-[[2-(hydroxymethyl)phenyl]methyl]-3,5-dihydropyrrolo[1,2-a][1,4]diazepin-1-one
CID 146270410
5-chloro-4-[5-[(2-fluorophenoxy)methyl]-3,4,6,10-tetrazatricyclo[8.3.0.02,6]trideca-1(13),2,4,11-tetraen-12-yl]-N-(2-methylpyrazol-3-yl)pyridin-2-amine
CID 155376343
(3R)-7-[5-chloro-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 153371872
(3R)-7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-3-(methoxymethyl)-2-[(1-methylindazol-6-yl)methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 146270289
(3R)-7-[5-chloro-2-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 146270294
8-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-2-[[2-(hydroxymethyl)phenyl]methyl]-1'-methylspiro[3,5-dihydropyrrolo[1,2-a][1,4]diazepine-4,3'-azetidine]-1-one;8-[5-chloro-2-(propan-2-ylamino)-4-pyridinyl]-2-[[2-(hydroxymethyl)phenyl]methyl]spiro[3,5-dihydropyrrolo[1,2-a][1,4]diazepine-4,3'-azetidine]-1-one
CID 159250050

Frequently Asked Questions

What is the IUPAC name of 7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[4,5-difluoro-2-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[4,5-difluoro-2-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one (CID 146270496) is 7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[4,5-difluoro-2-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[4,5-difluoro-2-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[4,5-difluoro-2-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one is Cn1nccc1Nc1cc(-c2cc3n(c2)CCN(Cc2cc(F)c(F)cc2CO)C3=O)c(Cl)cn1.
What is the InChIKey of 7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[4,5-difluoro-2-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is OMYVAHDNTXVLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClF2N6O2/c1-31-23(2-3-29-31)30-22-9-17(18(25)10-28-22)15-8-21-24(35)33(5-4-32(21)12-15)11-14-6-19(26)20(27)7-16(14)13-34/h2-3,6-10,12,34H,4-5,11,13H2,1H3,(H,28,30).
What are the key properties of 7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[4,5-difluoro-2-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[4,5-difluoro-2-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 498.92 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2-[[4,5-difluoro-2-(hydroxymethyl)phenyl]methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 146270496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).