7-[5-chloro-2-[(1-propan-2-ylpiperidin-4-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one

C30H37ClFN5O3 — CID 153371870

IUPAC7-[5-chloro-2-[(1-propan-2-ylpiperidin-4-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
SMILESCOCC1Cn2cc(-c3cc(NC4CCN(C(C)C)CC4)ncc3Cl)cc2C(=O)N1Cc1cc(F)ccc1CO
InChIInChI=1S/C30H37ClFN5O3/c1-19(2)35-8-6-24(7-9-35)34-29-12-26(27(31)13-33-29)22-11-28-30(39)37(25(18-40-3)16-36(28)14-22)15-21-10-23(32)5-4-20(21)17-38/h4-5,10-14,19,24-25,38H,6-9,15-18H2,1-3H3,(H,33,34)
InChIKeyMSAUWFIJSPCXFR-UHFFFAOYSA-N
MW570.11 g/mol
LogP4.79
Rot. Bonds9

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

7-[5-chloro-2-[(1-propan-2-ylpiperidin-4-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one (PubChem CID 153371870) has the molecular formula C30H37ClFN5O3 and a molecular weight of 570.11 g/mol. Its IUPAC name is 7-[5-chloro-2-[(1-propan-2-ylpiperidin-4-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name7-[5-chloro-2-[(1-propan-2-ylpiperidin-4-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
PubChem CID153371870
Molecular FormulaC30H37ClFN5O3
Molecular Weight570.11 g/mol
Exact Mass569.26
IUPAC Name7-[5-chloro-2-[(1-propan-2-ylpiperidin-4-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
SMILESCOCC1Cn2cc(-c3cc(NC4CCN(C(C)C)CC4)ncc3Cl)cc2C(=O)N1Cc1cc(F)ccc1CO
InChIInChI=1S/C30H37ClFN5O3/c1-19(2)35-8-6-24(7-9-35)34-29-12-26(27(31)13-33-29)22-11-28-30(39)37(25(18-40-3)16-36(28)14-22)15-21-10-23(32)5-4-20(21)17-38/h4-5,10-14,19,24-25,38H,6-9,15-18H2,1-3H3,(H,33,34)
InChIKeyMSAUWFIJSPCXFR-UHFFFAOYSA-N
XLogP4.79
TPSA82.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.11
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 7-[5-chloro-2-[(1-propan-2-ylpiperidin-4-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 7-[5-chloro-2-[(1-propan-2-ylpiperidin-4-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one (CID 153371870) is 7-[5-chloro-2-[(1-propan-2-ylpiperidin-4-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 7-[5-chloro-2-[(1-propan-2-ylpiperidin-4-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 7-[5-chloro-2-[(1-propan-2-ylpiperidin-4-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one is COCC1Cn2cc(-c3cc(NC4CCN(C(C)C)CC4)ncc3Cl)cc2C(=O)N1Cc1cc(F)ccc1CO.
What is the InChIKey of 7-[5-chloro-2-[(1-propan-2-ylpiperidin-4-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is MSAUWFIJSPCXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37ClFN5O3/c1-19(2)35-8-6-24(7-9-35)34-29-12-26(27(31)13-33-29)22-11-28-30(39)37(25(18-40-3)16-36(28)14-22)15-21-10-23(32)5-4-20(21)17-38/h4-5,10-14,19,24-25,38H,6-9,15-18H2,1-3H3,(H,33,34).
What are the key properties of 7-[5-chloro-2-[(1-propan-2-ylpiperidin-4-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
7-[5-chloro-2-[(1-propan-2-ylpiperidin-4-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 570.11 g/mol, XLogP of 4.79, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-chloro-2-[(1-propan-2-ylpiperidin-4-yl)amino]-4-pyridinyl]-2-[[5-fluoro-2-(hydroxymethyl)phenyl]methyl]-3-(methoxymethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 153371870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).