6-cyclopropyl-N-[2-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

C22H24N8O3 — CID 58548358

IUPAC6-cyclopropyl-N-[2-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCC(C)(CO)NC(=O)c1ncccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C22H24N8O3/c1-22(2,11-31)30-21(33)17-15(4-3-7-25-17)29-20(32)18-19(27-14-8-23-12-24-9-14)26-10-16(28-18)13-5-6-13/h3-4,7-10,12-13,31H,5-6,11H2,1-2H3,(H,26,27)(H,29,32)(H,30,33)
InChIKeyZIHNHIFXIXPRCQ-UHFFFAOYSA-N
MW448.49 g/mol
LogP2.04
Rot. Bonds8

About 6-cyclopropyl-N-[2-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

6-cyclopropyl-N-[2-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 58548358) has the molecular formula C22H24N8O3 and a molecular weight of 448.49 g/mol. Its IUPAC name is 6-cyclopropyl-N-[2-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[2-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID58548358
Molecular FormulaC22H24N8O3
Molecular Weight448.49 g/mol
Exact Mass448.20
IUPAC Name6-cyclopropyl-N-[2-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCC(C)(CO)NC(=O)c1ncccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C22H24N8O3/c1-22(2,11-31)30-21(33)17-15(4-3-7-25-17)29-20(32)18-19(27-14-8-23-12-24-9-14)26-10-16(28-18)13-5-6-13/h3-4,7-10,12-13,31H,5-6,11H2,1-2H3,(H,26,27)(H,29,32)(H,30,33)
InChIKeyZIHNHIFXIXPRCQ-UHFFFAOYSA-N
XLogP2.04
TPSA154.91 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 52.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

6-cyclopropyl-N-[1-(2-hydroxyethyl)-3-(pyridin-2-yl)-1H-pyrazol-5-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
CID 53328253
6-cyclopropyl-3-[(pyrimidin-5-yl)amino]-N-[4-(pyrrolidine-1-carbonyl)pyridin-3-yl]pyridine-2-carboxamide
CID 54760571
6-cyclopropyl-N-[4-(dimethylcarbamoyl)pyridin-3-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
CID 54760756
6-cyclopropyl-N-[4-(methylcarbamoyl)pyridin-3-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
CID 54760757
6-cyclopropyl-N-{4-[(2-hydroxy-2-methylpropyl)carbamoyl]pyridin-3-yl}-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
CID 70098086
6-ethyl-N-[1-(2-hydroxyethyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53329171
6-cyclopropyl-N-[1-(2-methoxyethyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 58368041
6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3-fluorophenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548152
6-cyclopropyl-N-[5-fluoro-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548190
6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-6-methyl-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548204
6-cyclopropyl-N-[4-fluoro-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548285
6-cyclopropyl-N-[2-[(3-methyloxetan-3-yl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548297

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[2-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[2-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 58548358) is 6-cyclopropyl-N-[2-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[2-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[2-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is CC(C)(CO)NC(=O)c1ncccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[2-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is ZIHNHIFXIXPRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O3/c1-22(2,11-31)30-21(33)17-15(4-3-7-25-17)29-20(32)18-19(27-14-8-23-12-24-9-14)26-10-16(28-18)13-5-6-13/h3-4,7-10,12-13,31H,5-6,11H2,1-2H3,(H,26,27)(H,29,32)(H,30,33).
What are the key properties of 6-cyclopropyl-N-[2-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[2-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 448.49 g/mol, XLogP of 2.04, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[2-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 58548358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).