[1-[1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]-3-methylsulfanylindole-6-carbonyl]pyrrolidin-3-yl]carbamic acid

C25H24N6O3S — CID 118676801

IUPAC[1-[1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]-3-methylsulfanylindole-6-carbonyl]pyrrolidin-3-yl]carbamic acid
SMILESCSc1cn(-c2ncc(-c3cc(C)ccn3)cn2)c2cc(C(=O)N3CCC(NC(=O)O)C3)ccc12
InChIInChI=1S/C25H24N6O3S/c1-15-5-7-26-20(9-15)17-11-27-24(28-12-17)31-14-22(35-2)19-4-3-16(10-21(19)31)23(32)30-8-6-18(13-30)29-25(33)34/h3-5,7,9-12,14,18,29H,6,8,13H2,1-2H3,(H,33,34)
InChIKeyDLZXKLYKXVLSBR-UHFFFAOYSA-N
MW488.57 g/mol
LogP3.99
Rot. Bonds5

About [1-[1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]-3-methylsulfanylindole-6-carbonyl]pyrrolidin-3-yl]carbamic acid

[1-[1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]-3-methylsulfanylindole-6-carbonyl]pyrrolidin-3-yl]carbamic acid (PubChem CID 118676801) has the molecular formula C25H24N6O3S and a molecular weight of 488.57 g/mol. Its IUPAC name is [1-[1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]-3-methylsulfanylindole-6-carbonyl]pyrrolidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[1-[1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]-3-methylsulfanylindole-6-carbonyl]pyrrolidin-3-yl]carbamic acid
PubChem CID118676801
Molecular FormulaC25H24N6O3S
Molecular Weight488.57 g/mol
Exact Mass488.16
IUPAC Name[1-[1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]-3-methylsulfanylindole-6-carbonyl]pyrrolidin-3-yl]carbamic acid
SMILESCSc1cn(-c2ncc(-c3cc(C)ccn3)cn2)c2cc(C(=O)N3CCC(NC(=O)O)C3)ccc12
InChIInChI=1S/C25H24N6O3S/c1-15-5-7-26-20(9-15)17-11-27-24(28-12-17)31-14-22(35-2)19-4-3-16(10-21(19)31)23(32)30-8-6-18(13-30)29-25(33)34/h3-5,7,9-12,14,18,29H,6,8,13H2,1-2H3,(H,33,34)
InChIKeyDLZXKLYKXVLSBR-UHFFFAOYSA-N
XLogP3.99
TPSA113.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.57
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [1-[1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]-3-methylsulfanylindole-6-carbonyl]pyrrolidin-3-yl]carbamic acid with MolForge

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

Launch Full Analysis

Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-[3-methylsulfanyl-1-(5-phenylpyrimidin-2-yl)indol-6-yl]methanone
CID 141472007
[(3R)-1-[3-methylsulfinyl-1-(5-phenylpyrimidin-2-yl)indole-6-carbonyl]pyrrolidin-3-yl]carbamic acid
CID 118676894
[1-[5-(1-methylpyrazol-3-yl)pyrimidin-2-yl]-3-methylsulfanylindol-6-yl]-morpholin-4-ylmethanone
CID 144998554
[3-methylsulfanyl-1-[5-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]indol-6-yl]-morpholin-4-ylmethanone;hydrate
CID 144998436
tert-butyl 4-[1-[5-(2-cyanophenyl)pyrimidin-2-yl]-3-methylsulfanylindole-6-carbonyl]piperazine-1-carboxylate
CID 118666152
[3-(methylamino)pyrrolidin-1-yl]-(2-methyl-4-pyridinyl)methanone
CID 106753716
[(3R)-3-aminopyrrolidin-1-yl]-[3-methylsulfinyl-1-(5-phenylpyrimidin-2-yl)indol-6-yl]methanone
CID 118666238
[1-[5-[4-(cyclopropylmethylamino)-2-pyridinyl]pyrimidin-2-yl]-3-methylsulfinylindol-6-yl]-morpholin-4-ylmethanone
CID 118666097
N-[1-[3-(2-methyl-4-pyridinyl)benzoyl]pyrrolidin-3-yl]acetamide
CID 118773574
[1-[5-[4-(dimethylamino)-2-pyridinyl]pyrimidin-2-yl]-3-methylsulfinylindol-6-yl]-morpholin-4-ylmethanone
CID 118666107
[(3R)-1-(2-ethenylpyridine-4-carbonyl)piperidin-3-yl]carbamic acid
CID 174225559
N-cyclohexyl-4-(4-methyl-2-pyridinyl)benzamide
CID 59672894

Frequently Asked Questions

What is the IUPAC name of [1-[1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]-3-methylsulfanylindole-6-carbonyl]pyrrolidin-3-yl]carbamic acid?
The IUPAC name of [1-[1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]-3-methylsulfanylindole-6-carbonyl]pyrrolidin-3-yl]carbamic acid (CID 118676801) is [1-[1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]-3-methylsulfanylindole-6-carbonyl]pyrrolidin-3-yl]carbamic acid.
What is the SMILES notation for [1-[1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]-3-methylsulfanylindole-6-carbonyl]pyrrolidin-3-yl]carbamic acid?
The canonical SMILES for [1-[1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]-3-methylsulfanylindole-6-carbonyl]pyrrolidin-3-yl]carbamic acid is CSc1cn(-c2ncc(-c3cc(C)ccn3)cn2)c2cc(C(=O)N3CCC(NC(=O)O)C3)ccc12.
What is the InChIKey of [1-[1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]-3-methylsulfanylindole-6-carbonyl]pyrrolidin-3-yl]carbamic acid?
The InChIKey is DLZXKLYKXVLSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O3S/c1-15-5-7-26-20(9-15)17-11-27-24(28-12-17)31-14-22(35-2)19-4-3-16(10-21(19)31)23(32)30-8-6-18(13-30)29-25(33)34/h3-5,7,9-12,14,18,29H,6,8,13H2,1-2H3,(H,33,34).
What are the key properties of [1-[1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]-3-methylsulfanylindole-6-carbonyl]pyrrolidin-3-yl]carbamic acid?
[1-[1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]-3-methylsulfanylindole-6-carbonyl]pyrrolidin-3-yl]carbamic acid has a molecular weight of 488.57 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]-3-methylsulfanylindole-6-carbonyl]pyrrolidin-3-yl]carbamic acid is sourced from PubChem (CID 118676801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).