4-[1-[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl]ethenylamino]-1-ethyl-N-methylpyrazole-5-carboxamide

C20H23N9O — CID 130458716

IUPAC4-[1-[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl]ethenylamino]-1-ethyl-N-methylpyrazole-5-carboxamide
SMILESC=C(Nc1cnn(CC)c1C(=O)NC)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C20H23N9O/c1-4-29-18(20(30)21-3)16(10-25-29)26-12(2)17-19(27-14-7-22-11-23-8-14)24-9-15(28-17)13-5-6-13/h7-11,13,26H,2,4-6H2,1,3H3,(H,21,30)(H,24,27)
InChIKeyGOPHIRDBGJECBQ-UHFFFAOYSA-N
MW405.47 g/mol
LogP2.55
Rot. Bonds8

About 4-[1-[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl]ethenylamino]-1-ethyl-N-methylpyrazole-5-carboxamide

4-[1-[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl]ethenylamino]-1-ethyl-N-methylpyrazole-5-carboxamide (PubChem CID 130458716) has the molecular formula C20H23N9O and a molecular weight of 405.47 g/mol. Its IUPAC name is 4-[1-[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl]ethenylamino]-1-ethyl-N-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[1-[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl]ethenylamino]-1-ethyl-N-methylpyrazole-5-carboxamide
PubChem CID130458716
Molecular FormulaC20H23N9O
Molecular Weight405.47 g/mol
Exact Mass405.20
IUPAC Name4-[1-[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl]ethenylamino]-1-ethyl-N-methylpyrazole-5-carboxamide
SMILESC=C(Nc1cnn(CC)c1C(=O)NC)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C20H23N9O/c1-4-29-18(20(30)21-3)16(10-25-29)26-12(2)17-19(27-14-7-22-11-23-8-14)24-9-15(28-17)13-5-6-13/h7-11,13,26H,2,4-6H2,1,3H3,(H,21,30)(H,24,27)
InChIKeyGOPHIRDBGJECBQ-UHFFFAOYSA-N
XLogP2.55
TPSA122.54 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl]ethenylamino]-1-ethyl-N-methylpyrazole-5-carboxamide?
The IUPAC name of 4-[1-[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl]ethenylamino]-1-ethyl-N-methylpyrazole-5-carboxamide (CID 130458716) is 4-[1-[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl]ethenylamino]-1-ethyl-N-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-[1-[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl]ethenylamino]-1-ethyl-N-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-[1-[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl]ethenylamino]-1-ethyl-N-methylpyrazole-5-carboxamide is C=C(Nc1cnn(CC)c1C(=O)NC)c1nc(C2CC2)cnc1Nc1cncnc1.
What is the InChIKey of 4-[1-[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl]ethenylamino]-1-ethyl-N-methylpyrazole-5-carboxamide?
The InChIKey is GOPHIRDBGJECBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N9O/c1-4-29-18(20(30)21-3)16(10-25-29)26-12(2)17-19(27-14-7-22-11-23-8-14)24-9-15(28-17)13-5-6-13/h7-11,13,26H,2,4-6H2,1,3H3,(H,21,30)(H,24,27).
What are the key properties of 4-[1-[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl]ethenylamino]-1-ethyl-N-methylpyrazole-5-carboxamide?
4-[1-[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl]ethenylamino]-1-ethyl-N-methylpyrazole-5-carboxamide has a molecular weight of 405.47 g/mol, XLogP of 2.55, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl]ethenylamino]-1-ethyl-N-methylpyrazole-5-carboxamide is sourced from PubChem (CID 130458716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).