(1-methylpiperidin-4-yl)methyl N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]carbamate

C25H25ClN6O3 — CID 137431331

IUPAC(1-methylpiperidin-4-yl)methyl N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]carbamate
SMILESCN1CCC(COC(=O)Nc2nc(-c3ccccc3)c(-c3cc(Cl)c4[nH]ncc4c3)[nH]c2=O)CC1
InChIInChI=1S/C25H25ClN6O3/c1-32-9-7-15(8-10-32)14-35-25(34)30-23-24(33)29-22(21(28-23)16-5-3-2-4-6-16)17-11-18-13-27-31-20(18)19(26)12-17/h2-6,11-13,15H,7-10,14H2,1H3,(H,27,31)(H,29,33)(H,28,30,34)
InChIKeyPMLPICQSWQCYRH-UHFFFAOYSA-N
MW492.97 g/mol
LogP4.52
Rot. Bonds5

About (1-methylpiperidin-4-yl)methyl N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]carbamate

(1-methylpiperidin-4-yl)methyl N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]carbamate (PubChem CID 137431331) has the molecular formula C25H25ClN6O3 and a molecular weight of 492.97 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl)methyl N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]carbamate.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl)methyl N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]carbamate
PubChem CID137431331
Molecular FormulaC25H25ClN6O3
Molecular Weight492.97 g/mol
Exact Mass492.17
IUPAC Name(1-methylpiperidin-4-yl)methyl N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]carbamate
SMILESCN1CCC(COC(=O)Nc2nc(-c3ccccc3)c(-c3cc(Cl)c4[nH]ncc4c3)[nH]c2=O)CC1
InChIInChI=1S/C25H25ClN6O3/c1-32-9-7-15(8-10-32)14-35-25(34)30-23-24(33)29-22(21(28-23)16-5-3-2-4-6-16)17-11-18-13-27-31-20(18)19(26)12-17/h2-6,11-13,15H,7-10,14H2,1H3,(H,27,31)(H,29,33)(H,28,30,34)
InChIKeyPMLPICQSWQCYRH-UHFFFAOYSA-N
XLogP4.52
TPSA116.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.97
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(1-methylpyrrolidin-3-yl) N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]carbamate
CID 137431840
[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea
CID 137431825
1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-ethylurea
CID 137431839
6-(7-chloro-1H-indazol-5-yl)-3-(ethylamino)-5-phenyl-1H-pyrazin-2-one
CID 137430502
oxan-4-ylmethyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]carbamate
CID 137431911
1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-(pyridin-3-ylmethyl)urea
CID 137430390
6-(7-chloro-1H-indazol-5-yl)-3-(pent-3-yn-2-ylamino)-5-phenyl-1H-pyrazin-2-one
CID 137430504
3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenyl-1H-pyrazin-2-one
CID 137430965
6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpiperidin-4-yl)amino]-5-phenylpyrazine-2-carbonitrile
CID 137431740
oxan-4-ylmethyl N-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate
CID 137431670
6-(7-chloro-1H-indazol-5-yl)-3-(2-cyclohexylethylamino)-5-phenyl-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpyrazol-4-yl)methylamino]-5-phenyl-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpyrrol-3-yl)methylamino]-5-phenyl-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(pyridin-3-ylmethylamino)-1H-pyrazin-2-one
CID 159826375
N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-4-fluorobenzamide;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-1-methyl-2-oxopiperidine-4-carboxamide;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrolidine-3-carboxamide;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxane-4-carboxamide;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxetane-3-carboxamide
CID 157293811

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl)methyl N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]carbamate?
The IUPAC name of (1-methylpiperidin-4-yl)methyl N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]carbamate (CID 137431331) is (1-methylpiperidin-4-yl)methyl N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]carbamate.
What is the SMILES notation for (1-methylpiperidin-4-yl)methyl N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]carbamate?
The canonical SMILES for (1-methylpiperidin-4-yl)methyl N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]carbamate is CN1CCC(COC(=O)Nc2nc(-c3ccccc3)c(-c3cc(Cl)c4[nH]ncc4c3)[nH]c2=O)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl)methyl N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]carbamate?
The InChIKey is PMLPICQSWQCYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN6O3/c1-32-9-7-15(8-10-32)14-35-25(34)30-23-24(33)29-22(21(28-23)16-5-3-2-4-6-16)17-11-18-13-27-31-20(18)19(26)12-17/h2-6,11-13,15H,7-10,14H2,1H3,(H,27,31)(H,29,33)(H,28,30,34).
What are the key properties of (1-methylpiperidin-4-yl)methyl N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]carbamate?
(1-methylpiperidin-4-yl)methyl N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]carbamate has a molecular weight of 492.97 g/mol, XLogP of 4.52, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl)methyl N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]carbamate is sourced from PubChem (CID 137431331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).