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

C21H26N10O2 — CID 54761819

IUPAC6-cyclopropyl-N-[5-[2-(dimethylamino)ethylcarbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCN(C)CCNC(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)cnn1C
InChIInChI=1S/C21H26N10O2/c1-30(2)7-6-24-21(33)18-16(11-26-31(18)3)29-20(32)17-19(27-14-8-22-12-23-9-14)25-10-15(28-17)13-4-5-13/h8-13H,4-7H2,1-3H3,(H,24,33)(H,25,27)(H,29,32)
InChIKeyGMLVNJUPLCMOSC-UHFFFAOYSA-N
MW450.51 g/mol
LogP1.16
Rot. Bonds9

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

6-cyclopropyl-N-[5-[2-(dimethylamino)ethylcarbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 54761819) has the molecular formula C21H26N10O2 and a molecular weight of 450.51 g/mol. Its IUPAC name is 6-cyclopropyl-N-[5-[2-(dimethylamino)ethylcarbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[5-[2-(dimethylamino)ethylcarbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID54761819
Molecular FormulaC21H26N10O2
Molecular Weight450.51 g/mol
Exact Mass450.22
IUPAC Name6-cyclopropyl-N-[5-[2-(dimethylamino)ethylcarbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCN(C)CCNC(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)cnn1C
InChIInChI=1S/C21H26N10O2/c1-30(2)7-6-24-21(33)18-16(11-26-31(18)3)29-20(32)17-19(27-14-8-22-12-23-9-14)25-10-15(28-17)13-4-5-13/h8-13H,4-7H2,1-3H3,(H,24,33)(H,25,27)(H,29,32)
InChIKeyGMLVNJUPLCMOSC-UHFFFAOYSA-N
XLogP1.16
TPSA142.85 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.51
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[5-[2-(dimethylamino)ethylcarbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[5-[2-(dimethylamino)ethylcarbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 54761819) is 6-cyclopropyl-N-[5-[2-(dimethylamino)ethylcarbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[5-[2-(dimethylamino)ethylcarbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[5-[2-(dimethylamino)ethylcarbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is CN(C)CCNC(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)cnn1C.
What is the InChIKey of 6-cyclopropyl-N-[5-[2-(dimethylamino)ethylcarbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is GMLVNJUPLCMOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N10O2/c1-30(2)7-6-24-21(33)18-16(11-26-31(18)3)29-20(32)17-19(27-14-8-22-12-23-9-14)25-10-15(28-17)13-4-5-13/h8-13H,4-7H2,1-3H3,(H,24,33)(H,25,27)(H,29,32).
What are the key properties of 6-cyclopropyl-N-[5-[2-(dimethylamino)ethylcarbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[5-[2-(dimethylamino)ethylcarbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 450.51 g/mol, XLogP of 1.16, 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-(dimethylamino)ethylcarbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 54761819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).