6-cyclopropyl-N-[5-(2-fluoroethylcarbamoyl)-1-methylpyrazol-4-yl]-5-(oxolan-2-yl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

C23H26FN9O3 — CID 54760024

IUPAC6-cyclopropyl-N-[5-(2-fluoroethylcarbamoyl)-1-methylpyrazol-4-yl]-5-(oxolan-2-yl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCn1ncc(NC(=O)c2nc(C3CC3)c(C3CCCO3)nc2Nc2cncnc2)c1C(=O)NCCF
InChIInChI=1S/C23H26FN9O3/c1-33-20(23(35)27-7-6-24)15(11-28-33)30-22(34)19-21(29-14-9-25-12-26-10-14)32-18(16-3-2-8-36-16)17(31-19)13-4-5-13/h9-13,16H,2-8H2,1H3,(H,27,35)(H,29,32)(H,30,34)
InChIKeyKILCKYDWVCBAIW-UHFFFAOYSA-N
MW495.52 g/mol
LogP2.42
Rot. Bonds9

About 6-cyclopropyl-N-[5-(2-fluoroethylcarbamoyl)-1-methylpyrazol-4-yl]-5-(oxolan-2-yl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

6-cyclopropyl-N-[5-(2-fluoroethylcarbamoyl)-1-methylpyrazol-4-yl]-5-(oxolan-2-yl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 54760024) has the molecular formula C23H26FN9O3 and a molecular weight of 495.52 g/mol. Its IUPAC name is 6-cyclopropyl-N-[5-(2-fluoroethylcarbamoyl)-1-methylpyrazol-4-yl]-5-(oxolan-2-yl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[5-(2-fluoroethylcarbamoyl)-1-methylpyrazol-4-yl]-5-(oxolan-2-yl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID54760024
Molecular FormulaC23H26FN9O3
Molecular Weight495.52 g/mol
Exact Mass495.21
IUPAC Name6-cyclopropyl-N-[5-(2-fluoroethylcarbamoyl)-1-methylpyrazol-4-yl]-5-(oxolan-2-yl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCn1ncc(NC(=O)c2nc(C3CC3)c(C3CCCO3)nc2Nc2cncnc2)c1C(=O)NCCF
InChIInChI=1S/C23H26FN9O3/c1-33-20(23(35)27-7-6-24)15(11-28-33)30-22(34)19-21(29-14-9-25-12-26-10-14)32-18(16-3-2-8-36-16)17(31-19)13-4-5-13/h9-13,16H,2-8H2,1H3,(H,27,35)(H,29,32)(H,30,34)
InChIKeyKILCKYDWVCBAIW-UHFFFAOYSA-N
XLogP2.42
TPSA148.84 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.52
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 6-cyclopropyl-N-[5-(2-fluoroethylcarbamoyl)-1-methylpyrazol-4-yl]-5-(oxolan-2-yl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[methyl(oxan-4-yl)carbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548367
6-cyclopropyl-N-[5-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548414
N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)-6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
CID 54761816
[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[5-[(2-methoxy-2-methylpropyl)carbamoyl]-1-methylpyrazol-4-yl]carbamate
CID 130443099
N-[5-(azetidine-1-carbonyl)-1-methylpyrazol-4-yl]-6-cyclopropyl-3-(pyridin-3-ylamino)pyrazine-2-carboxamide
CID 58548168
[2-cyclopropyl-5-(pyrimidin-5-ylamino)pyrimidin-4-yl] N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]carbamate
CID 130443150
[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[5-[cyclopropyl(methyl)carbamoyl]-1-methylpyrazol-4-yl]carbamate
CID 130443112
[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[1-methyl-5-[methyl(propan-2-yl)carbamoyl]pyrazol-4-yl]carbamate
CID 130442946
(5S)-5-methyl-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 51388342
(5R)-5-methyl-N-[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 51388341
4-(cyclopropanecarbonylamino)-1-methyl-N-propylpyrazole-5-carboxamide
CID 19396172

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[5-(2-fluoroethylcarbamoyl)-1-methylpyrazol-4-yl]-5-(oxolan-2-yl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[5-(2-fluoroethylcarbamoyl)-1-methylpyrazol-4-yl]-5-(oxolan-2-yl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 54760024) is 6-cyclopropyl-N-[5-(2-fluoroethylcarbamoyl)-1-methylpyrazol-4-yl]-5-(oxolan-2-yl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[5-(2-fluoroethylcarbamoyl)-1-methylpyrazol-4-yl]-5-(oxolan-2-yl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[5-(2-fluoroethylcarbamoyl)-1-methylpyrazol-4-yl]-5-(oxolan-2-yl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is Cn1ncc(NC(=O)c2nc(C3CC3)c(C3CCCO3)nc2Nc2cncnc2)c1C(=O)NCCF.
What is the InChIKey of 6-cyclopropyl-N-[5-(2-fluoroethylcarbamoyl)-1-methylpyrazol-4-yl]-5-(oxolan-2-yl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is KILCKYDWVCBAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN9O3/c1-33-20(23(35)27-7-6-24)15(11-28-33)30-22(34)19-21(29-14-9-25-12-26-10-14)32-18(16-3-2-8-36-16)17(31-19)13-4-5-13/h9-13,16H,2-8H2,1H3,(H,27,35)(H,29,32)(H,30,34).
What are the key properties of 6-cyclopropyl-N-[5-(2-fluoroethylcarbamoyl)-1-methylpyrazol-4-yl]-5-(oxolan-2-yl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[5-(2-fluoroethylcarbamoyl)-1-methylpyrazol-4-yl]-5-(oxolan-2-yl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 495.52 g/mol, XLogP of 2.42, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[5-(2-fluoroethylcarbamoyl)-1-methylpyrazol-4-yl]-5-(oxolan-2-yl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 54760024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).