2-[2-cyclohexyl-5-(4-methylpiperazine-1-carbonyl)-7-oxopyrazolo[1,5-a]pyrimidin-4-yl]-N-(5-fluoro-2-pyridinyl)acetamide

C25H30FN7O3 — CID 175121313

IUPAC2-[2-cyclohexyl-5-(4-methylpiperazine-1-carbonyl)-7-oxopyrazolo[1,5-a]pyrimidin-4-yl]-N-(5-fluoro-2-pyridinyl)acetamide
SMILESCN1CCN(C(=O)c2cc(=O)n3nc(C4CCCCC4)cc3n2CC(=O)Nc2ccc(F)cn2)CC1
InChIInChI=1S/C25H30FN7O3/c1-30-9-11-31(12-10-30)25(36)20-14-24(35)33-23(13-19(29-33)17-5-3-2-4-6-17)32(20)16-22(34)28-21-8-7-18(26)15-27-21/h7-8,13-15,17H,2-6,9-12,16H2,1H3,(H,27,28,34)
InChIKeyOXJDGIGYBFFZJA-UHFFFAOYSA-N
MW495.56 g/mol
LogP2.10
Rot. Bonds5

About 2-[2-cyclohexyl-5-(4-methylpiperazine-1-carbonyl)-7-oxopyrazolo[1,5-a]pyrimidin-4-yl]-N-(5-fluoro-2-pyridinyl)acetamide

2-[2-cyclohexyl-5-(4-methylpiperazine-1-carbonyl)-7-oxopyrazolo[1,5-a]pyrimidin-4-yl]-N-(5-fluoro-2-pyridinyl)acetamide (PubChem CID 175121313) has the molecular formula C25H30FN7O3 and a molecular weight of 495.56 g/mol. Its IUPAC name is 2-[2-cyclohexyl-5-(4-methylpiperazine-1-carbonyl)-7-oxopyrazolo[1,5-a]pyrimidin-4-yl]-N-(5-fluoro-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[2-cyclohexyl-5-(4-methylpiperazine-1-carbonyl)-7-oxopyrazolo[1,5-a]pyrimidin-4-yl]-N-(5-fluoro-2-pyridinyl)acetamide
PubChem CID175121313
Molecular FormulaC25H30FN7O3
Molecular Weight495.56 g/mol
Exact Mass495.24
IUPAC Name2-[2-cyclohexyl-5-(4-methylpiperazine-1-carbonyl)-7-oxopyrazolo[1,5-a]pyrimidin-4-yl]-N-(5-fluoro-2-pyridinyl)acetamide
SMILESCN1CCN(C(=O)c2cc(=O)n3nc(C4CCCCC4)cc3n2CC(=O)Nc2ccc(F)cn2)CC1
InChIInChI=1S/C25H30FN7O3/c1-30-9-11-31(12-10-30)25(36)20-14-24(35)33-23(13-19(29-33)17-5-3-2-4-6-17)32(20)16-22(34)28-21-8-7-18(26)15-27-21/h7-8,13-15,17H,2-6,9-12,16H2,1H3,(H,27,28,34)
InChIKeyOXJDGIGYBFFZJA-UHFFFAOYSA-N
XLogP2.10
TPSA104.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.56
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(5-cyclohexyl-11-methyl-8-oxo-2,6,7,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10,12-pentaen-2-yl)-N-(5-fluoro-2-pyridinyl)acetamide
CID 175117311
(3R)-3-[8-[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl]-2,6-dioxo-5-propan-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-11-yl]pyrrolidine-1-carboxylic acid
CID 160915695
N-(5-fluoro-2-pyridinyl)-2-[11-(4-methylpiperazine-1-carbonyl)-2,6-dioxo-5-propan-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]acetamide
CID 142565229
N-(5-fluoro-2-pyridinyl)-2-[12-methyl-8-oxo-5-(thian-4-yl)-2,6,7,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10,12-pentaen-2-yl]acetamide
CID 156704054
2-cyclopentyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82271519
2-(2,6-dioxo-5-propan-2-yl-11-pyrrolidin-3-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl)-N-(5-fluoro-2-pyridinyl)acetamide
CID 142564891
4-[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl]-2-(oxan-4-yl)-7-oxo-N-(1,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 175568149
2-(1,1-dioxothian-4-yl)-4-[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl]-7-oxo-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 175123250
2-[11-(2-cyclopropyl-5-methyl-4-pyridinyl)-2,6-dioxo-5-propan-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]-N-(5-fluoro-2-pyridinyl)acetamide
CID 156704031
2-[5-(cyclohexylmethyl)-11-ethyl-2,6-dioxo-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]-N-(5-fluoro-2-pyridinyl)acetamide;hydrochloride
CID 160721409
2-[5-(cyclopropylamino)-8-oxo-2,6,7,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10,12-pentaen-2-yl]-N-(5-fluoro-2-pyridinyl)acetamide
CID 175354076
2-cyclopropyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82271514

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclohexyl-5-(4-methylpiperazine-1-carbonyl)-7-oxopyrazolo[1,5-a]pyrimidin-4-yl]-N-(5-fluoro-2-pyridinyl)acetamide?
The IUPAC name of 2-[2-cyclohexyl-5-(4-methylpiperazine-1-carbonyl)-7-oxopyrazolo[1,5-a]pyrimidin-4-yl]-N-(5-fluoro-2-pyridinyl)acetamide (CID 175121313) is 2-[2-cyclohexyl-5-(4-methylpiperazine-1-carbonyl)-7-oxopyrazolo[1,5-a]pyrimidin-4-yl]-N-(5-fluoro-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[2-cyclohexyl-5-(4-methylpiperazine-1-carbonyl)-7-oxopyrazolo[1,5-a]pyrimidin-4-yl]-N-(5-fluoro-2-pyridinyl)acetamide?
The canonical SMILES for 2-[2-cyclohexyl-5-(4-methylpiperazine-1-carbonyl)-7-oxopyrazolo[1,5-a]pyrimidin-4-yl]-N-(5-fluoro-2-pyridinyl)acetamide is CN1CCN(C(=O)c2cc(=O)n3nc(C4CCCCC4)cc3n2CC(=O)Nc2ccc(F)cn2)CC1.
What is the InChIKey of 2-[2-cyclohexyl-5-(4-methylpiperazine-1-carbonyl)-7-oxopyrazolo[1,5-a]pyrimidin-4-yl]-N-(5-fluoro-2-pyridinyl)acetamide?
The InChIKey is OXJDGIGYBFFZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN7O3/c1-30-9-11-31(12-10-30)25(36)20-14-24(35)33-23(13-19(29-33)17-5-3-2-4-6-17)32(20)16-22(34)28-21-8-7-18(26)15-27-21/h7-8,13-15,17H,2-6,9-12,16H2,1H3,(H,27,28,34).
What are the key properties of 2-[2-cyclohexyl-5-(4-methylpiperazine-1-carbonyl)-7-oxopyrazolo[1,5-a]pyrimidin-4-yl]-N-(5-fluoro-2-pyridinyl)acetamide?
2-[2-cyclohexyl-5-(4-methylpiperazine-1-carbonyl)-7-oxopyrazolo[1,5-a]pyrimidin-4-yl]-N-(5-fluoro-2-pyridinyl)acetamide has a molecular weight of 495.56 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclohexyl-5-(4-methylpiperazine-1-carbonyl)-7-oxopyrazolo[1,5-a]pyrimidin-4-yl]-N-(5-fluoro-2-pyridinyl)acetamide is sourced from PubChem (CID 175121313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).