6-cyclopropyl-N-[2-(methylcarbamoyl)-4-propan-2-ylphenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

C23H25N7O2 — CID 58548174

IUPAC6-cyclopropyl-N-[2-(methylcarbamoyl)-4-propan-2-ylphenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCNC(=O)c1cc(C(C)C)ccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C23H25N7O2/c1-13(2)15-6-7-18(17(8-15)22(31)24-3)30-23(32)20-21(28-16-9-25-12-26-10-16)27-11-19(29-20)14-4-5-14/h6-14H,4-5H2,1-3H3,(H,24,31)(H,27,28)(H,30,32)
InChIKeyRTTKSLLEWNFVRQ-UHFFFAOYSA-N
MW431.50 g/mol
LogP3.62
Rot. Bonds7

About 6-cyclopropyl-N-[2-(methylcarbamoyl)-4-propan-2-ylphenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

6-cyclopropyl-N-[2-(methylcarbamoyl)-4-propan-2-ylphenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 58548174) has the molecular formula C23H25N7O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is 6-cyclopropyl-N-[2-(methylcarbamoyl)-4-propan-2-ylphenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[2-(methylcarbamoyl)-4-propan-2-ylphenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID58548174
Molecular FormulaC23H25N7O2
Molecular Weight431.50 g/mol
Exact Mass431.21
IUPAC Name6-cyclopropyl-N-[2-(methylcarbamoyl)-4-propan-2-ylphenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCNC(=O)c1cc(C(C)C)ccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C23H25N7O2/c1-13(2)15-6-7-18(17(8-15)22(31)24-3)30-23(32)20-21(28-16-9-25-12-26-10-16)27-11-19(29-20)14-4-5-14/h6-14H,4-5H2,1-3H3,(H,24,31)(H,27,28)(H,30,32)
InChIKeyRTTKSLLEWNFVRQ-UHFFFAOYSA-N
XLogP3.62
TPSA121.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[2-(methylcarbamoyl)-4-propan-2-ylphenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[2-(methylcarbamoyl)-4-propan-2-ylphenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 58548174) is 6-cyclopropyl-N-[2-(methylcarbamoyl)-4-propan-2-ylphenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[2-(methylcarbamoyl)-4-propan-2-ylphenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[2-(methylcarbamoyl)-4-propan-2-ylphenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is CNC(=O)c1cc(C(C)C)ccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[2-(methylcarbamoyl)-4-propan-2-ylphenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is RTTKSLLEWNFVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O2/c1-13(2)15-6-7-18(17(8-15)22(31)24-3)30-23(32)20-21(28-16-9-25-12-26-10-16)27-11-19(29-20)14-4-5-14/h6-14H,4-5H2,1-3H3,(H,24,31)(H,27,28)(H,30,32).
What are the key properties of 6-cyclopropyl-N-[2-(methylcarbamoyl)-4-propan-2-ylphenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[2-(methylcarbamoyl)-4-propan-2-ylphenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 3.62, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[2-(methylcarbamoyl)-4-propan-2-ylphenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 58548174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).