6-cyclopropyl-N-[1-methyl-5-[methyl(oxan-4-yl)carbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

C23H27N9O3 — CID 58548367

IUPAC6-cyclopropyl-N-[1-methyl-5-[methyl(oxan-4-yl)carbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCN(C(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)cnn1C)C1CCOCC1
InChIInChI=1S/C23H27N9O3/c1-31(16-5-7-35-8-6-16)23(34)20-18(12-27-32(20)2)30-22(33)19-21(28-15-9-24-13-25-10-15)26-11-17(29-19)14-3-4-14/h9-14,16H,3-8H2,1-2H3,(H,26,28)(H,30,33)
InChIKeyHITJLGWWFAANHH-UHFFFAOYSA-N
MW477.53 g/mol
LogP2.12
Rot. Bonds7

About 6-cyclopropyl-N-[1-methyl-5-[methyl(oxan-4-yl)carbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

6-cyclopropyl-N-[1-methyl-5-[methyl(oxan-4-yl)carbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 58548367) has the molecular formula C23H27N9O3 and a molecular weight of 477.53 g/mol. Its IUPAC name is 6-cyclopropyl-N-[1-methyl-5-[methyl(oxan-4-yl)carbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[1-methyl-5-[methyl(oxan-4-yl)carbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID58548367
Molecular FormulaC23H27N9O3
Molecular Weight477.53 g/mol
Exact Mass477.22
IUPAC Name6-cyclopropyl-N-[1-methyl-5-[methyl(oxan-4-yl)carbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCN(C(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)cnn1C)C1CCOCC1
InChIInChI=1S/C23H27N9O3/c1-31(16-5-7-35-8-6-16)23(34)20-18(12-27-32(20)2)30-22(33)19-21(28-15-9-24-13-25-10-15)26-11-17(29-19)14-3-4-14/h9-14,16H,3-8H2,1-2H3,(H,26,28)(H,30,33)
InChIKeyHITJLGWWFAANHH-UHFFFAOYSA-N
XLogP2.12
TPSA140.05 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.53
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[1-methyl-5-[methyl(oxan-4-yl)carbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[1-methyl-5-[methyl(oxan-4-yl)carbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 58548367) is 6-cyclopropyl-N-[1-methyl-5-[methyl(oxan-4-yl)carbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[1-methyl-5-[methyl(oxan-4-yl)carbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[1-methyl-5-[methyl(oxan-4-yl)carbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is CN(C(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)cnn1C)C1CCOCC1.
What is the InChIKey of 6-cyclopropyl-N-[1-methyl-5-[methyl(oxan-4-yl)carbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is HITJLGWWFAANHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N9O3/c1-31(16-5-7-35-8-6-16)23(34)20-18(12-27-32(20)2)30-22(33)19-21(28-15-9-24-13-25-10-15)26-11-17(29-19)14-3-4-14/h9-14,16H,3-8H2,1-2H3,(H,26,28)(H,30,33).
What are the key properties of 6-cyclopropyl-N-[1-methyl-5-[methyl(oxan-4-yl)carbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[1-methyl-5-[methyl(oxan-4-yl)carbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 477.53 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[1-methyl-5-[methyl(oxan-4-yl)carbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 58548367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).