2-(cyclopropylmethyl)-7,7-difluoro-9-(pyrimidine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one

C17H20F2N4O2 — CID 131695100

IUPAC2-(cyclopropylmethyl)-7,7-difluoro-9-(pyrimidine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C(c1ccncn1)N1CC(F)(F)CC2(CCN(CC3CC3)C2=O)C1
InChIInChI=1S/C17H20F2N4O2/c18-17(19)8-16(4-6-22(15(16)25)7-12-1-2-12)9-23(10-17)14(24)13-3-5-20-11-21-13/h3,5,11-12H,1-2,4,6-10H2
InChIKeyCMATWGFYDCKHTA-UHFFFAOYSA-N
MW350.37 g/mol
LogP1.59
Rot. Bonds3

About 2-(cyclopropylmethyl)-7,7-difluoro-9-(pyrimidine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one

2-(cyclopropylmethyl)-7,7-difluoro-9-(pyrimidine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 131695100) has the molecular formula C17H20F2N4O2 and a molecular weight of 350.37 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-7,7-difluoro-9-(pyrimidine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-7,7-difluoro-9-(pyrimidine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID131695100
Molecular FormulaC17H20F2N4O2
Molecular Weight350.37 g/mol
Exact Mass350.16
IUPAC Name2-(cyclopropylmethyl)-7,7-difluoro-9-(pyrimidine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C(c1ccncn1)N1CC(F)(F)CC2(CCN(CC3CC3)C2=O)C1
InChIInChI=1S/C17H20F2N4O2/c18-17(19)8-16(4-6-22(15(16)25)7-12-1-2-12)9-23(10-17)14(24)13-3-5-20-11-21-13/h3,5,11-12H,1-2,4,6-10H2
InChIKeyCMATWGFYDCKHTA-UHFFFAOYSA-N
XLogP1.59
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-7,7-difluoro-9-(pyrimidine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-(cyclopropylmethyl)-7,7-difluoro-9-(pyrimidine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one (CID 131695100) is 2-(cyclopropylmethyl)-7,7-difluoro-9-(pyrimidine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-7,7-difluoro-9-(pyrimidine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-(cyclopropylmethyl)-7,7-difluoro-9-(pyrimidine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one is O=C(c1ccncn1)N1CC(F)(F)CC2(CCN(CC3CC3)C2=O)C1.
What is the InChIKey of 2-(cyclopropylmethyl)-7,7-difluoro-9-(pyrimidine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is CMATWGFYDCKHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4O2/c18-17(19)8-16(4-6-22(15(16)25)7-12-1-2-12)9-23(10-17)14(24)13-3-5-20-11-21-13/h3,5,11-12H,1-2,4,6-10H2.
What are the key properties of 2-(cyclopropylmethyl)-7,7-difluoro-9-(pyrimidine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one?
2-(cyclopropylmethyl)-7,7-difluoro-9-(pyrimidine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 350.37 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-7,7-difluoro-9-(pyrimidine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 131695100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).