6-methoxy-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

C16H17N9O3 — CID 54759459

IUPAC6-methoxy-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCNC(=O)c1c(NC(=O)c2nc(OC)cnc2Nc2cncnc2)cnn1C
InChIInChI=1S/C16H17N9O3/c1-17-16(27)13-10(6-21-25(13)2)23-15(26)12-14(20-7-11(24-12)28-3)22-9-4-18-8-19-5-9/h4-8H,1-3H3,(H,17,27)(H,20,22)(H,23,26)
InChIKeyZZDFLQKSOHAIMN-UHFFFAOYSA-N
MW383.37 g/mol
LogP0.36
Rot. Bonds6

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

6-methoxy-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 54759459) has the molecular formula C16H17N9O3 and a molecular weight of 383.37 g/mol. Its IUPAC name is 6-methoxy-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID54759459
Molecular FormulaC16H17N9O3
Molecular Weight383.37 g/mol
Exact Mass383.15
IUPAC Name6-methoxy-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCNC(=O)c1c(NC(=O)c2nc(OC)cnc2Nc2cncnc2)cnn1C
InChIInChI=1S/C16H17N9O3/c1-17-16(27)13-10(6-21-25(13)2)23-15(26)12-14(20-7-11(24-12)28-3)22-9-4-18-8-19-5-9/h4-8H,1-3H3,(H,17,27)(H,20,22)(H,23,26)
InChIKeyZZDFLQKSOHAIMN-UHFFFAOYSA-N
XLogP0.36
TPSA148.84 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

6-cyclopropyl-N-{5-[(2-hydroxy-2-methylpropyl)carbamoyl]-1-methyl-1H-pyrazol-4-yl}-3-[(pyrimidin-5-yl)amino]pyrazine-2-carboxamide
CID 54761297
6-cyclopropyl-N-[1-methyl-5-(methylcarbamoyl)-1H-pyrazol-4-yl]-3-[(pyrimidin-5-yl)amino]pyrazine-2-carboxamide
CID 54761299
6-Cyclopropyl-3-(pyrimidin-5-ylamino)-pyrazine-2-carboxylic acid (1-methyl-5-{[(S)-1-(tetrahydro-furan-2-yl)methyl]-carbamoyl}-1H-pyrazol-4-yl)-amide
CID 54759456
6-Cyclopropyl-3-(pyrimidin-5-ylamino)-pyrazine-2-carboxylic acid (1-methyl-5-{[(R)-1-(tetrahydro-furan-2-yl)methyl]-carbamoyl}-1H-pyrazol-4-yl)-amide
CID 54759457
6-Cyclopropyl-3-(pyrimidin-5-ylamino)-pyrazine-2-carboxylic acid [1-(2-hydroxy-ethyl)-5-methylcarbamoyl-1H-pyrazol-4-yl]-amide
CID 54759649
6-cyclopropyl-N-[5-(methylcarbamoyl)-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 54759650
6-cyclopropyl-N-[5-(methylcarbamoyl)-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 54759653
6-acetyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 54759654
6-cyclopropyl-N-[1-methyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 54759834
6-Cyclopropyl-N-(1-methyl-5-(methylcarbamoyl)-1H-pyrazol-4-yl)-3-(pyrazin-2-ylamino)pyrazine-2-carboxamide
CID 54760021
6-cyclopropyl-N-[5-(2,2-difluoropropylcarbamoyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 54760194
6-cyclopropyl-N-[1-methyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 54760196

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-methoxy-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 54759459) is 6-methoxy-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-methoxy-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-methoxy-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is CNC(=O)c1c(NC(=O)c2nc(OC)cnc2Nc2cncnc2)cnn1C.
What is the InChIKey of 6-methoxy-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is ZZDFLQKSOHAIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N9O3/c1-17-16(27)13-10(6-21-25(13)2)23-15(26)12-14(20-7-11(24-12)28-3)22-9-4-18-8-19-5-9/h4-8H,1-3H3,(H,17,27)(H,20,22)(H,23,26).
What are the key properties of 6-methoxy-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-methoxy-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 383.37 g/mol, XLogP of 0.36, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 54759459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).