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

C19H21N9O3 — CID 54759649

IUPAC6-cyclopropyl-N-[1-(2-hydroxyethyl)-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCNC(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)cnn1CCO
InChIInChI=1S/C19H21N9O3/c1-20-19(31)16-14(9-24-28(16)4-5-29)27-18(30)15-17(25-12-6-21-10-22-7-12)23-8-13(26-15)11-2-3-11/h6-11,29H,2-5H2,1H3,(H,20,31)(H,23,25)(H,27,30)
InChIKeyBIHMLRXVILIGRH-UHFFFAOYSA-N
MW423.44 g/mol
LogP0.69
Rot. Bonds8

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

6-cyclopropyl-N-[1-(2-hydroxyethyl)-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 54759649) has the molecular formula C19H21N9O3 and a molecular weight of 423.44 g/mol. Its IUPAC name is 6-cyclopropyl-N-[1-(2-hydroxyethyl)-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[1-(2-hydroxyethyl)-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID54759649
Molecular FormulaC19H21N9O3
Molecular Weight423.44 g/mol
Exact Mass423.18
IUPAC Name6-cyclopropyl-N-[1-(2-hydroxyethyl)-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCNC(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)cnn1CCO
InChIInChI=1S/C19H21N9O3/c1-20-19(31)16-14(9-24-28(16)4-5-29)27-18(30)15-17(25-12-6-21-10-22-7-12)23-8-13(26-15)11-2-3-11/h6-11,29H,2-5H2,1H3,(H,20,31)(H,23,25)(H,27,30)
InChIKeyBIHMLRXVILIGRH-UHFFFAOYSA-N
XLogP0.69
TPSA159.84 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 50.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[1-(2-hydroxyethyl)-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[1-(2-hydroxyethyl)-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 54759649) is 6-cyclopropyl-N-[1-(2-hydroxyethyl)-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[1-(2-hydroxyethyl)-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[1-(2-hydroxyethyl)-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is CNC(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)cnn1CCO.
What is the InChIKey of 6-cyclopropyl-N-[1-(2-hydroxyethyl)-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is BIHMLRXVILIGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N9O3/c1-20-19(31)16-14(9-24-28(16)4-5-29)27-18(30)15-17(25-12-6-21-10-22-7-12)23-8-13(26-15)11-2-3-11/h6-11,29H,2-5H2,1H3,(H,20,31)(H,23,25)(H,27,30).
What are the key properties of 6-cyclopropyl-N-[1-(2-hydroxyethyl)-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[1-(2-hydroxyethyl)-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 423.44 g/mol, XLogP of 0.69, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[1-(2-hydroxyethyl)-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 54759649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).