(3E)-3-[[7-(2-cyclopropylethyl)-5-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyrazolo[1,5-a]pyridin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one

C25H32N4O2 — CID 158996904

IUPAC(3E)-3-[[7-(2-cyclopropylethyl)-5-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyrazolo[1,5-a]pyridin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
SMILESC=C1C/C(=C\c2cnn3c(CCC4CC4)cc(NCC4(CO)CCCC4)cc23)C(=O)N1
InChIInChI=1S/C25H32N4O2/c1-17-10-19(24(31)28-17)11-20-14-27-29-22(7-6-18-4-5-18)12-21(13-23(20)29)26-15-25(16-30)8-2-3-9-25/h11-14,18,26,30H,1-10,15-16H2,(H,28,31)/b19-11+
InChIKeyZFFZZODPYQNTJU-YBFXNURJSA-N
MW420.56 g/mol
LogP4.06
Rot. Bonds8

About (3E)-3-[[7-(2-cyclopropylethyl)-5-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyrazolo[1,5-a]pyridin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one

(3E)-3-[[7-(2-cyclopropylethyl)-5-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyrazolo[1,5-a]pyridin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one (PubChem CID 158996904) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is (3E)-3-[[7-(2-cyclopropylethyl)-5-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyrazolo[1,5-a]pyridin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one.

Molecular Properties

Compound Name(3E)-3-[[7-(2-cyclopropylethyl)-5-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyrazolo[1,5-a]pyridin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
PubChem CID158996904
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name(3E)-3-[[7-(2-cyclopropylethyl)-5-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyrazolo[1,5-a]pyridin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
SMILESC=C1C/C(=C\c2cnn3c(CCC4CC4)cc(NCC4(CO)CCCC4)cc23)C(=O)N1
InChIInChI=1S/C25H32N4O2/c1-17-10-19(24(31)28-17)11-20-14-27-29-22(7-6-18-4-5-18)12-21(13-23(20)29)26-15-25(16-30)8-2-3-9-25/h11-14,18,26,30H,1-10,15-16H2,(H,28,31)/b19-11+
InChIKeyZFFZZODPYQNTJU-YBFXNURJSA-N
XLogP4.06
TPSA78.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3E)-3-[[7-(2-cyclopropylethyl)-5-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyrazolo[1,5-a]pyridin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one with MolForge

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Related Compounds

4-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 132097092
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 132097137
N-[(2-hydroxycyclopentyl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103708576
N-[2-(hydroxymethyl)cyclopentyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103774031
N-[[1-(hydroxymethyl)cyclopentyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 104890911
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 104957569
N-[2-(hydroxymethyl)-2-methylcyclopentyl]-5-methyl-1-pyridin-4-ylpyrazole-4-carboxamide
CID 109887347
[1-[(Pyrazolo[1,5-a]pyridin-3-ylmethylamino)methyl]cyclopentyl]methanol
CID 115358490

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[[7-(2-cyclopropylethyl)-5-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyrazolo[1,5-a]pyridin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one?
The IUPAC name of (3E)-3-[[7-(2-cyclopropylethyl)-5-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyrazolo[1,5-a]pyridin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one (CID 158996904) is (3E)-3-[[7-(2-cyclopropylethyl)-5-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyrazolo[1,5-a]pyridin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one.
What is the SMILES notation for (3E)-3-[[7-(2-cyclopropylethyl)-5-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyrazolo[1,5-a]pyridin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one?
The canonical SMILES for (3E)-3-[[7-(2-cyclopropylethyl)-5-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyrazolo[1,5-a]pyridin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one is C=C1C/C(=C\c2cnn3c(CCC4CC4)cc(NCC4(CO)CCCC4)cc23)C(=O)N1.
What is the InChIKey of (3E)-3-[[7-(2-cyclopropylethyl)-5-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyrazolo[1,5-a]pyridin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one?
The InChIKey is ZFFZZODPYQNTJU-YBFXNURJSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-17-10-19(24(31)28-17)11-20-14-27-29-22(7-6-18-4-5-18)12-21(13-23(20)29)26-15-25(16-30)8-2-3-9-25/h11-14,18,26,30H,1-10,15-16H2,(H,28,31)/b19-11+.
What are the key properties of (3E)-3-[[7-(2-cyclopropylethyl)-5-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyrazolo[1,5-a]pyridin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one?
(3E)-3-[[7-(2-cyclopropylethyl)-5-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyrazolo[1,5-a]pyridin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one has a molecular weight of 420.56 g/mol, XLogP of 4.06, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[[7-(2-cyclopropylethyl)-5-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyrazolo[1,5-a]pyridin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one is sourced from PubChem (CID 158996904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).