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

C23H21ClN6O3 — CID 137431840

IUPAC(1-methylpyrrolidin-3-yl) N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]carbamate
SMILESCN1CCC(OC(=O)Nc2nc(-c3ccccc3)c(-c3cc(Cl)c4[nH]ncc4c3)[nH]c2=O)C1
InChIInChI=1S/C23H21ClN6O3/c1-30-8-7-16(12-30)33-23(32)28-21-22(31)27-20(19(26-21)13-5-3-2-4-6-13)14-9-15-11-25-29-18(15)17(24)10-14/h2-6,9-11,16H,7-8,12H2,1H3,(H,25,29)(H,27,31)(H,26,28,32)
InChIKeyYXSBYKUPVPXQDB-UHFFFAOYSA-N
MW464.91 g/mol
LogP3.89
Rot. Bonds4

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

(1-methylpyrrolidin-3-yl) N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]carbamate (PubChem CID 137431840) has the molecular formula C23H21ClN6O3 and a molecular weight of 464.91 g/mol. Its IUPAC name is (1-methylpyrrolidin-3-yl) N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]carbamate.

Molecular Properties

Compound Name(1-methylpyrrolidin-3-yl) N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]carbamate
PubChem CID137431840
Molecular FormulaC23H21ClN6O3
Molecular Weight464.91 g/mol
Exact Mass464.14
IUPAC Name(1-methylpyrrolidin-3-yl) N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]carbamate
SMILESCN1CCC(OC(=O)Nc2nc(-c3ccccc3)c(-c3cc(Cl)c4[nH]ncc4c3)[nH]c2=O)C1
InChIInChI=1S/C23H21ClN6O3/c1-30-8-7-16(12-30)33-23(32)28-21-22(31)27-20(19(26-21)13-5-3-2-4-6-13)14-9-15-11-25-29-18(15)17(24)10-14/h2-6,9-11,16H,7-8,12H2,1H3,(H,25,29)(H,27,31)(H,26,28,32)
InChIKeyYXSBYKUPVPXQDB-UHFFFAOYSA-N
XLogP3.89
TPSA116.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.91
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrolidin-3-yl) N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]carbamate?
The IUPAC name of (1-methylpyrrolidin-3-yl) N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]carbamate (CID 137431840) is (1-methylpyrrolidin-3-yl) N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]carbamate.
What is the SMILES notation for (1-methylpyrrolidin-3-yl) N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]carbamate?
The canonical SMILES for (1-methylpyrrolidin-3-yl) N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]carbamate is CN1CCC(OC(=O)Nc2nc(-c3ccccc3)c(-c3cc(Cl)c4[nH]ncc4c3)[nH]c2=O)C1.
What is the InChIKey of (1-methylpyrrolidin-3-yl) N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]carbamate?
The InChIKey is YXSBYKUPVPXQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN6O3/c1-30-8-7-16(12-30)33-23(32)28-21-22(31)27-20(19(26-21)13-5-3-2-4-6-13)14-9-15-11-25-29-18(15)17(24)10-14/h2-6,9-11,16H,7-8,12H2,1H3,(H,25,29)(H,27,31)(H,26,28,32).
What are the key properties of (1-methylpyrrolidin-3-yl) N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]carbamate?
(1-methylpyrrolidin-3-yl) N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]carbamate has a molecular weight of 464.91 g/mol, XLogP of 3.89, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrolidin-3-yl) N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]carbamate is sourced from PubChem (CID 137431840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).