6-cyclopropyl-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

C22H25N9O3 — CID 54760377

IUPAC6-cyclopropyl-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCCn1ncc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c1C(=O)N1CCOCC1
InChIInChI=1S/C22H25N9O3/c1-2-31-19(22(33)30-5-7-34-8-6-30)17(12-26-31)29-21(32)18-20(27-15-9-23-13-24-10-15)25-11-16(28-18)14-3-4-14/h9-14H,2-8H2,1H3,(H,25,27)(H,29,32)
InChIKeyUIANPZGGBJHTQD-UHFFFAOYSA-N
MW463.50 g/mol
LogP1.83
Rot. Bonds7

About 6-cyclopropyl-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

6-cyclopropyl-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 54760377) has the molecular formula C22H25N9O3 and a molecular weight of 463.50 g/mol. Its IUPAC name is 6-cyclopropyl-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID54760377
Molecular FormulaC22H25N9O3
Molecular Weight463.50 g/mol
Exact Mass463.21
IUPAC Name6-cyclopropyl-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCCn1ncc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c1C(=O)N1CCOCC1
InChIInChI=1S/C22H25N9O3/c1-2-31-19(22(33)30-5-7-34-8-6-30)17(12-26-31)29-21(32)18-20(27-15-9-23-13-24-10-15)25-11-16(28-18)14-3-4-14/h9-14H,2-8H2,1H3,(H,25,27)(H,29,32)
InChIKeyUIANPZGGBJHTQD-UHFFFAOYSA-N
XLogP1.83
TPSA140.05 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.50
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

6-Cyclopropyl-3-(pyrimidin-5-ylamino)-pyrazine-2-carboxylic acid [5-(isoxazolidine-2-carbonyl)-1-methyl-1H-pyrazol-4-yl]-amide
CID 54760941
6-cyclopropyl-N-[4-[(2-hydroxy-2-methylpropyl)carbamoyl]-2-methylpyrimidin-5-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548401
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-Methoxy-3-(pyrimidin-5-ylamino)-pyrazine-2-carboxylic acid (1-methyl-5-methylcarbamoyl-1H-pyrazol-4-yl)-amide
CID 54759459
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-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 54759651
6-cyclopropyl-N-[5-[(2-hydroxy-2-methylpropyl)carbamoyl]-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 54759652
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

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 54760377) is 6-cyclopropyl-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is CCn1ncc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c1C(=O)N1CCOCC1.
What is the InChIKey of 6-cyclopropyl-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is UIANPZGGBJHTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N9O3/c1-2-31-19(22(33)30-5-7-34-8-6-30)17(12-26-31)29-21(32)18-20(27-15-9-23-13-24-10-15)25-11-16(28-18)14-3-4-14/h9-14H,2-8H2,1H3,(H,25,27)(H,29,32).
What are the key properties of 6-cyclopropyl-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 463.50 g/mol, XLogP of 1.83, 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-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 54760377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).