(1S,2S)-8'-cyclopentyl-2,5'-dimethyl-2'-(1H-pyrazol-4-yl)spiro[cyclopropane-1,7'-pteridine]-6'-one

C18H22N6O — CID 163812747

IUPAC(1S,2S)-8'-cyclopentyl-2,5'-dimethyl-2'-(1H-pyrazol-4-yl)spiro[cyclopropane-1,7'-pteridine]-6'-one
SMILESC[C@H]1C[C@@]12C(=O)N(C)c1cnc(-c3cn[nH]c3)nc1N2C1CCCC1
InChIInChI=1S/C18H22N6O/c1-11-7-18(11)17(25)23(2)14-10-19-15(12-8-20-21-9-12)22-16(14)24(18)13-5-3-4-6-13/h8-11,13H,3-7H2,1-2H3,(H,20,21)/t11-,18-/m0/s1
InChIKeyNORPRKICZFWBKG-VOJFVSQTSA-N
MW338.42 g/mol
LogP2.37
Rot. Bonds2

About (1S,2S)-8'-cyclopentyl-2,5'-dimethyl-2'-(1H-pyrazol-4-yl)spiro[cyclopropane-1,7'-pteridine]-6'-one

(1S,2S)-8'-cyclopentyl-2,5'-dimethyl-2'-(1H-pyrazol-4-yl)spiro[cyclopropane-1,7'-pteridine]-6'-one (PubChem CID 163812747) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is (1S,2S)-8'-cyclopentyl-2,5'-dimethyl-2'-(1H-pyrazol-4-yl)spiro[cyclopropane-1,7'-pteridine]-6'-one.

Molecular Properties

Compound Name(1S,2S)-8'-cyclopentyl-2,5'-dimethyl-2'-(1H-pyrazol-4-yl)spiro[cyclopropane-1,7'-pteridine]-6'-one
PubChem CID163812747
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name(1S,2S)-8'-cyclopentyl-2,5'-dimethyl-2'-(1H-pyrazol-4-yl)spiro[cyclopropane-1,7'-pteridine]-6'-one
SMILESC[C@H]1C[C@@]12C(=O)N(C)c1cnc(-c3cn[nH]c3)nc1N2C1CCCC1
InChIInChI=1S/C18H22N6O/c1-11-7-18(11)17(25)23(2)14-10-19-15(12-8-20-21-9-12)22-16(14)24(18)13-5-3-4-6-13/h8-11,13H,3-7H2,1-2H3,(H,20,21)/t11-,18-/m0/s1
InChIKeyNORPRKICZFWBKG-VOJFVSQTSA-N
XLogP2.37
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S,2S)-8'-cyclopentyl-2,5'-dimethyl-2'-(1H-pyrazol-4-yl)spiro[cyclopropane-1,7'-pteridine]-6'-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-8'-cyclopentyl-2,5'-dimethyl-2'-(1H-pyrazol-4-yl)spiro[cyclopropane-1,7'-pteridine]-6'-one?
The IUPAC name of (1S,2S)-8'-cyclopentyl-2,5'-dimethyl-2'-(1H-pyrazol-4-yl)spiro[cyclopropane-1,7'-pteridine]-6'-one (CID 163812747) is (1S,2S)-8'-cyclopentyl-2,5'-dimethyl-2'-(1H-pyrazol-4-yl)spiro[cyclopropane-1,7'-pteridine]-6'-one.
What is the SMILES notation for (1S,2S)-8'-cyclopentyl-2,5'-dimethyl-2'-(1H-pyrazol-4-yl)spiro[cyclopropane-1,7'-pteridine]-6'-one?
The canonical SMILES for (1S,2S)-8'-cyclopentyl-2,5'-dimethyl-2'-(1H-pyrazol-4-yl)spiro[cyclopropane-1,7'-pteridine]-6'-one is C[C@H]1C[C@@]12C(=O)N(C)c1cnc(-c3cn[nH]c3)nc1N2C1CCCC1.
What is the InChIKey of (1S,2S)-8'-cyclopentyl-2,5'-dimethyl-2'-(1H-pyrazol-4-yl)spiro[cyclopropane-1,7'-pteridine]-6'-one?
The InChIKey is NORPRKICZFWBKG-VOJFVSQTSA-N. The full InChI is InChI=1S/C18H22N6O/c1-11-7-18(11)17(25)23(2)14-10-19-15(12-8-20-21-9-12)22-16(14)24(18)13-5-3-4-6-13/h8-11,13H,3-7H2,1-2H3,(H,20,21)/t11-,18-/m0/s1.
What are the key properties of (1S,2S)-8'-cyclopentyl-2,5'-dimethyl-2'-(1H-pyrazol-4-yl)spiro[cyclopropane-1,7'-pteridine]-6'-one?
(1S,2S)-8'-cyclopentyl-2,5'-dimethyl-2'-(1H-pyrazol-4-yl)spiro[cyclopropane-1,7'-pteridine]-6'-one has a molecular weight of 338.42 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-8'-cyclopentyl-2,5'-dimethyl-2'-(1H-pyrazol-4-yl)spiro[cyclopropane-1,7'-pteridine]-6'-one is sourced from PubChem (CID 163812747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).