N-cyclopropyl-4-(2-fluoro-2-methylpropyl)-5-hydroxy-2-methyl-3-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide

About N-cyclopropyl-4-(2-fluoro-2-methylpropyl)-5-hydroxy-2-methyl-3-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide

N-cyclopropyl-4-(2-fluoro-2-methylpropyl)-5-hydroxy-2-methyl-3-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 156890575) has the molecular formula C22H28FN5O5 and a molecular weight of 461.49 g/mol. Its IUPAC name is N-cyclopropyl-4-(2-fluoro-2-methylpropyl)-5-hydroxy-2-methyl-3-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name	N-cyclopropyl-4-(2-fluoro-2-methylpropyl)-5-hydroxy-2-methyl-3-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID	156890575
Molecular Formula	C22H28FN5O5
Molecular Weight	461.49 g/mol
Exact Mass	461.21
IUPAC Name	N-cyclopropyl-4-(2-fluoro-2-methylpropyl)-5-hydroxy-2-methyl-3-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILES	Cc1nn2c(=O)c(C(=O)NC3CC3)c(O)n(CC(C)(C)F)c2c1/C=C/C(=O)N1CCOCC1
InChI	InChI=1S/C22H28FN5O5/c1-13-15(6-7-16(29)26-8-10-33-11-9-26)19-27(12-22(2,3)23)20(31)17(21(32)28(19)25-13)18(30)24-14-4-5-14/h6-7,14,31H,4-5,8-12H2,1-3H3,(H,24,30)/b7-6+
InChIKey	LBEWIIKEQQTYDK-VOTSOKGWSA-N
XLogP	1.02
TPSA	118.17 Å²
H-Bond Donors	2
H-Bond Acceptors	8
Rotatable Bonds	6
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.49
LogP ≤ 5	1.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(2-fluoro-2-methylpropyl)-5-hydroxy-2-methyl-3-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide?

The IUPAC name of N-cyclopropyl-4-(2-fluoro-2-methylpropyl)-5-hydroxy-2-methyl-3-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 156890575) is N-cyclopropyl-4-(2-fluoro-2-methylpropyl)-5-hydroxy-2-methyl-3-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide.

What is the SMILES notation for N-cyclopropyl-4-(2-fluoro-2-methylpropyl)-5-hydroxy-2-methyl-3-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide?

The canonical SMILES for N-cyclopropyl-4-(2-fluoro-2-methylpropyl)-5-hydroxy-2-methyl-3-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1nn2c(=O)c(C(=O)NC3CC3)c(O)n(CC(C)(C)F)c2c1/C=C/C(=O)N1CCOCC1.

What is the InChIKey of N-cyclopropyl-4-(2-fluoro-2-methylpropyl)-5-hydroxy-2-methyl-3-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide?

The InChIKey is LBEWIIKEQQTYDK-VOTSOKGWSA-N. The full InChI is InChI=1S/C22H28FN5O5/c1-13-15(6-7-16(29)26-8-10-33-11-9-26)19-27(12-22(2,3)23)20(31)17(21(32)28(19)25-13)18(30)24-14-4-5-14/h6-7,14,31H,4-5,8-12H2,1-3H3,(H,24,30)/b7-6+.

What are the key properties of N-cyclopropyl-4-(2-fluoro-2-methylpropyl)-5-hydroxy-2-methyl-3-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide?

N-cyclopropyl-4-(2-fluoro-2-methylpropyl)-5-hydroxy-2-methyl-3-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 461.49 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-4-(2-fluoro-2-methylpropyl)-5-hydroxy-2-methyl-3-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 156890575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).