(4E)-4-[[7-(cyclopropylamino)-5-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one

C21H27N7O2 — CID 158685212

IUPAC(4E)-4-[[7-(cyclopropylamino)-5-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
SMILESC=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NCCN3CCOCC3)nc12
InChIInChI=1S/C21H27N7O2/c1-14-15(11-20(29)24-14)10-16-13-23-28-19(25-17-2-3-17)12-18(26-21(16)28)22-4-5-27-6-8-30-9-7-27/h10,12-13,17,25H,1-9,11H2,(H,22,26)(H,24,29)/b15-10+
InChIKeyGSKRQHBGVQMCPC-XNTDXEJSSA-N
MW409.49 g/mol
LogP1.46
Rot. Bonds7

About (4E)-4-[[7-(cyclopropylamino)-5-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one

(4E)-4-[[7-(cyclopropylamino)-5-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one (PubChem CID 158685212) has the molecular formula C21H27N7O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is (4E)-4-[[7-(cyclopropylamino)-5-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one.

Molecular Properties

Compound Name(4E)-4-[[7-(cyclopropylamino)-5-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
PubChem CID158685212
Molecular FormulaC21H27N7O2
Molecular Weight409.49 g/mol
Exact Mass409.22
IUPAC Name(4E)-4-[[7-(cyclopropylamino)-5-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
SMILESC=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NCCN3CCOCC3)nc12
InChIInChI=1S/C21H27N7O2/c1-14-15(11-20(29)24-14)10-16-13-23-28-19(25-17-2-3-17)12-18(26-21(16)28)22-4-5-27-6-8-30-9-7-27/h10,12-13,17,25H,1-9,11H2,(H,22,26)(H,24,29)/b15-10+
InChIKeyGSKRQHBGVQMCPC-XNTDXEJSSA-N
XLogP1.46
TPSA95.82 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (4E)-4-[[7-(cyclopropylamino)-5-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one with MolForge

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Related Compounds

(4E)-4-[[4-[(3R)-3-fluoropyrrolidin-1-yl]-2-(oxan-4-ylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methylidene]-5-methylidenepyrrolidin-2-one
CID 58196601
(4E)-4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-(2-methoxyethylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methylidene]-5-methylidenepyrrolidin-2-one
CID 58196742
(4E)-4-[[4-[(3R)-3-fluoropyrrolidin-1-yl]-2-(1,4-oxazepan-4-yl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methylidene]-5-methylidenepyrrolidin-2-one
CID 58196744
(4E)-4-[[2-(cyclopropylamino)-4-[(3R)-3-fluoropyrrolidin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-8-yl]methylidene]-5-methylidenepyrrolidin-2-one
CID 58196763
(3E)-3-[[4-(cyclopropylamino)-2-(4-fluoropiperidin-1-yl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methylidene]pyrrolidine-2,5-dione
CID 58313703
(3E)-3-[[7-(cyclopropylamino)-5-[(3R)-3-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione
CID 58313864
(3E)-3-[[7-(cyclopropylamino)-5-[(3S)-3-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione
CID 58314376
(3E)-3-[[7-(cyclopropylamino)-5-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione
CID 58314536
(3E)-3-[[7-(cyclopropylamino)-5-[4-(2,2-difluorocyclopropanecarbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione
CID 58314915
(3E)-3-[[7-(cyclopropylamino)-5-[4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione
CID 58315190
(4Z)-4-[[7-(cyclopropylamino)-5-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one
CID 89887714
(4Z)-4-[[7-(cyclopropylamino)-5-[(3R)-3-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one
CID 121257321

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[[7-(cyclopropylamino)-5-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one?
The IUPAC name of (4E)-4-[[7-(cyclopropylamino)-5-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one (CID 158685212) is (4E)-4-[[7-(cyclopropylamino)-5-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one.
What is the SMILES notation for (4E)-4-[[7-(cyclopropylamino)-5-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one?
The canonical SMILES for (4E)-4-[[7-(cyclopropylamino)-5-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one is C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NCCN3CCOCC3)nc12.
What is the InChIKey of (4E)-4-[[7-(cyclopropylamino)-5-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one?
The InChIKey is GSKRQHBGVQMCPC-XNTDXEJSSA-N. The full InChI is InChI=1S/C21H27N7O2/c1-14-15(11-20(29)24-14)10-16-13-23-28-19(25-17-2-3-17)12-18(26-21(16)28)22-4-5-27-6-8-30-9-7-27/h10,12-13,17,25H,1-9,11H2,(H,22,26)(H,24,29)/b15-10+.
What are the key properties of (4E)-4-[[7-(cyclopropylamino)-5-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one?
(4E)-4-[[7-(cyclopropylamino)-5-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one has a molecular weight of 409.49 g/mol, XLogP of 1.46, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[[7-(cyclopropylamino)-5-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one is sourced from PubChem (CID 158685212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).