(Z)-3-amino-3-cyclopentyl-N'-[2-[2-(3,3,4,4-tetrafluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]prop-2-enimidamide

C24H31F4N7O — CID 144990607

IUPAC(Z)-3-amino-3-cyclopentyl-N'-[2-[2-(3,3,4,4-tetrafluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]prop-2-enimidamide
SMILESN/C(=C\C(N)=N\c1nc(N2CCCC2C(=O)N2CC(F)(F)C(F)(F)C2)nc2c1CCC2)C1CCCC1
InChIInChI=1S/C24H31F4N7O/c25-23(26)12-34(13-24(23,27)28)21(36)18-9-4-10-35(18)22-31-17-8-3-7-15(17)20(33-22)32-19(30)11-16(29)14-5-1-2-6-14/h11,14,18H,1-10,12-13,29H2,(H2,30,31,32,33)/b16-11-
InChIKeyUCFIHLMMXNZYCU-WJDWOHSUSA-N
MW509.55 g/mol
LogP3.07
Rot. Bonds5

About (Z)-3-amino-3-cyclopentyl-N'-[2-[2-(3,3,4,4-tetrafluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]prop-2-enimidamide

(Z)-3-amino-3-cyclopentyl-N'-[2-[2-(3,3,4,4-tetrafluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]prop-2-enimidamide (PubChem CID 144990607) has the molecular formula C24H31F4N7O and a molecular weight of 509.55 g/mol. Its IUPAC name is (Z)-3-amino-3-cyclopentyl-N'-[2-[2-(3,3,4,4-tetrafluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]prop-2-enimidamide.

Molecular Properties

Compound Name(Z)-3-amino-3-cyclopentyl-N'-[2-[2-(3,3,4,4-tetrafluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]prop-2-enimidamide
PubChem CID144990607
Molecular FormulaC24H31F4N7O
Molecular Weight509.55 g/mol
Exact Mass509.25
IUPAC Name(Z)-3-amino-3-cyclopentyl-N'-[2-[2-(3,3,4,4-tetrafluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]prop-2-enimidamide
SMILESN/C(=C\C(N)=N\c1nc(N2CCCC2C(=O)N2CC(F)(F)C(F)(F)C2)nc2c1CCC2)C1CCCC1
InChIInChI=1S/C24H31F4N7O/c25-23(26)12-34(13-24(23,27)28)21(36)18-9-4-10-35(18)22-31-17-8-3-7-15(17)20(33-22)32-19(30)11-16(29)14-5-1-2-6-14/h11,14,18H,1-10,12-13,29H2,(H2,30,31,32,33)/b16-11-
InChIKeyUCFIHLMMXNZYCU-WJDWOHSUSA-N
XLogP3.07
TPSA113.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.55
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-3-cyclopentyl-N'-[2-[2-(3,3,4,4-tetrafluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]prop-2-enimidamide?
The IUPAC name of (Z)-3-amino-3-cyclopentyl-N'-[2-[2-(3,3,4,4-tetrafluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]prop-2-enimidamide (CID 144990607) is (Z)-3-amino-3-cyclopentyl-N'-[2-[2-(3,3,4,4-tetrafluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]prop-2-enimidamide.
What is the SMILES notation for (Z)-3-amino-3-cyclopentyl-N'-[2-[2-(3,3,4,4-tetrafluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]prop-2-enimidamide?
The canonical SMILES for (Z)-3-amino-3-cyclopentyl-N'-[2-[2-(3,3,4,4-tetrafluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]prop-2-enimidamide is N/C(=C\C(N)=N\c1nc(N2CCCC2C(=O)N2CC(F)(F)C(F)(F)C2)nc2c1CCC2)C1CCCC1.
What is the InChIKey of (Z)-3-amino-3-cyclopentyl-N'-[2-[2-(3,3,4,4-tetrafluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]prop-2-enimidamide?
The InChIKey is UCFIHLMMXNZYCU-WJDWOHSUSA-N. The full InChI is InChI=1S/C24H31F4N7O/c25-23(26)12-34(13-24(23,27)28)21(36)18-9-4-10-35(18)22-31-17-8-3-7-15(17)20(33-22)32-19(30)11-16(29)14-5-1-2-6-14/h11,14,18H,1-10,12-13,29H2,(H2,30,31,32,33)/b16-11-.
What are the key properties of (Z)-3-amino-3-cyclopentyl-N'-[2-[2-(3,3,4,4-tetrafluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]prop-2-enimidamide?
(Z)-3-amino-3-cyclopentyl-N'-[2-[2-(3,3,4,4-tetrafluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]prop-2-enimidamide has a molecular weight of 509.55 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-3-cyclopentyl-N'-[2-[2-(3,3,4,4-tetrafluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]prop-2-enimidamide is sourced from PubChem (CID 144990607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).