6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-6-(methoxymethyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

C24H28N8O4 — CID 58548301

IUPAC6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-6-(methoxymethyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCOCc1ccc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c(C(=O)NCC(C)(C)O)n1
InChIInChI=1S/C24H28N8O4/c1-24(2,35)12-28-22(33)19-17(7-6-15(29-19)11-36-3)32-23(34)20-21(30-16-8-25-13-26-9-16)27-10-18(31-20)14-4-5-14/h6-10,13-14,35H,4-5,11-12H2,1-3H3,(H,27,30)(H,28,33)(H,32,34)
InChIKeySTDUGXCJNBFARO-UHFFFAOYSA-N
MW492.54 g/mol
LogP2.18
Rot. Bonds10

About 6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-6-(methoxymethyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-6-(methoxymethyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 58548301) has the molecular formula C24H28N8O4 and a molecular weight of 492.54 g/mol. Its IUPAC name is 6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-6-(methoxymethyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-6-(methoxymethyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID58548301
Molecular FormulaC24H28N8O4
Molecular Weight492.54 g/mol
Exact Mass492.22
IUPAC Name6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-6-(methoxymethyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCOCc1ccc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c(C(=O)NCC(C)(C)O)n1
InChIInChI=1S/C24H28N8O4/c1-24(2,35)12-28-22(33)19-17(7-6-15(29-19)11-36-3)32-23(34)20-21(30-16-8-25-13-26-9-16)27-10-18(31-20)14-4-5-14/h6-10,13-14,35H,4-5,11-12H2,1-3H3,(H,27,30)(H,28,33)(H,32,34)
InChIKeySTDUGXCJNBFARO-UHFFFAOYSA-N
XLogP2.18
TPSA164.14 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.54
LogP ≤ 52.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-6-(methoxymethyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-6-(methoxymethyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 58548301) is 6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-6-(methoxymethyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-6-(methoxymethyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-6-(methoxymethyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is COCc1ccc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c(C(=O)NCC(C)(C)O)n1.
What is the InChIKey of 6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-6-(methoxymethyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is STDUGXCJNBFARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O4/c1-24(2,35)12-28-22(33)19-17(7-6-15(29-19)11-36-3)32-23(34)20-21(30-16-8-25-13-26-9-16)27-10-18(31-20)14-4-5-14/h6-10,13-14,35H,4-5,11-12H2,1-3H3,(H,27,30)(H,28,33)(H,32,34).
What are the key properties of 6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-6-(methoxymethyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-6-(methoxymethyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 492.54 g/mol, XLogP of 2.18, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-6-(methoxymethyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 58548301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).