[(3R)-3-[(5-chloropyrimidin-2-yl)amino]pyrrolidin-1-yl]-(2,3-dihydro-1H-indol-6-yl)methanone

C17H18ClN5O — CID 153162079

IUPAC[(3R)-3-[(5-chloropyrimidin-2-yl)amino]pyrrolidin-1-yl]-(2,3-dihydro-1H-indol-6-yl)methanone
SMILESO=C(c1ccc2c(c1)NCC2)N1CC[C@@H](Nc2ncc(Cl)cn2)C1
InChIInChI=1S/C17H18ClN5O/c18-13-8-20-17(21-9-13)22-14-4-6-23(10-14)16(24)12-2-1-11-3-5-19-15(11)7-12/h1-2,7-9,14,19H,3-6,10H2,(H,20,21,22)/t14-/m1/s1
InChIKeyWCOBQURVMIAVLN-CQSZACIVSA-N
MW343.82 g/mol
LogP2.42
Rot. Bonds3

About [(3R)-3-[(5-chloropyrimidin-2-yl)amino]pyrrolidin-1-yl]-(2,3-dihydro-1H-indol-6-yl)methanone

[(3R)-3-[(5-chloropyrimidin-2-yl)amino]pyrrolidin-1-yl]-(2,3-dihydro-1H-indol-6-yl)methanone (PubChem CID 153162079) has the molecular formula C17H18ClN5O and a molecular weight of 343.82 g/mol. Its IUPAC name is [(3R)-3-[(5-chloropyrimidin-2-yl)amino]pyrrolidin-1-yl]-(2,3-dihydro-1H-indol-6-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-[(5-chloropyrimidin-2-yl)amino]pyrrolidin-1-yl]-(2,3-dihydro-1H-indol-6-yl)methanone
PubChem CID153162079
Molecular FormulaC17H18ClN5O
Molecular Weight343.82 g/mol
Exact Mass343.12
IUPAC Name[(3R)-3-[(5-chloropyrimidin-2-yl)amino]pyrrolidin-1-yl]-(2,3-dihydro-1H-indol-6-yl)methanone
SMILESO=C(c1ccc2c(c1)NCC2)N1CC[C@@H](Nc2ncc(Cl)cn2)C1
InChIInChI=1S/C17H18ClN5O/c18-13-8-20-17(21-9-13)22-14-4-6-23(10-14)16(24)12-2-1-11-3-5-19-15(11)7-12/h1-2,7-9,14,19H,3-6,10H2,(H,20,21,22)/t14-/m1/s1
InChIKeyWCOBQURVMIAVLN-CQSZACIVSA-N
XLogP2.42
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(3R)-3-[(5-chloropyrimidin-2-yl)amino]pyrrolidin-1-yl]-(2,3-dihydro-1H-indol-6-yl)methanone with MolForge

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Related Compounds

N-[4-[3-[(5-chloropyrimidin-2-yl)amino]pyrrolidine-1-carbonyl]phenyl]prop-2-ynamide
CID 153314165
(E)-N-[4-[(3R)-3-[(5-chloropyrimidin-2-yl)amino]pyrrolidine-1-carbonyl]phenyl]-4-(dimethylamino)but-2-enamide
CID 147643448
N-[4-[3-[(5-chloropyrimidin-2-yl)amino]pyrrolidine-1-carbonyl]phenyl]ethenesulfonamide
CID 153314230
2,3-dihydro-1H-indol-6-yl-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107222896
N-[1-(2,3-dihydro-1H-indole-5-carbonyl)piperidin-3-yl]acetamide
CID 60947810
[(3S)-3-[(5-chloropyrimidin-2-yl)amino]pyrrolidin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 167941064
N-[4-[3-[(5-chloropyrimidin-2-yl)amino]pyrrolidine-1-carbonyl]-2-(oxolan-3-yloxy)phenyl]prop-2-enamide
CID 175109645
2,3-dihydro-1H-indol-6-yl(morpholin-4-yl)methanone
CID 90299623
2,3-dihydro-1H-indol-5-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63166948
1-[3-[(5-chloropyrimidin-2-yl)amino]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 75379024
N-cyclopentyl-2,3-dihydro-1H-indole-6-carboxamide
CID 113382512
(3,4-dichlorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413636

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[(5-chloropyrimidin-2-yl)amino]pyrrolidin-1-yl]-(2,3-dihydro-1H-indol-6-yl)methanone?
The IUPAC name of [(3R)-3-[(5-chloropyrimidin-2-yl)amino]pyrrolidin-1-yl]-(2,3-dihydro-1H-indol-6-yl)methanone (CID 153162079) is [(3R)-3-[(5-chloropyrimidin-2-yl)amino]pyrrolidin-1-yl]-(2,3-dihydro-1H-indol-6-yl)methanone.
What is the SMILES notation for [(3R)-3-[(5-chloropyrimidin-2-yl)amino]pyrrolidin-1-yl]-(2,3-dihydro-1H-indol-6-yl)methanone?
The canonical SMILES for [(3R)-3-[(5-chloropyrimidin-2-yl)amino]pyrrolidin-1-yl]-(2,3-dihydro-1H-indol-6-yl)methanone is O=C(c1ccc2c(c1)NCC2)N1CC[C@@H](Nc2ncc(Cl)cn2)C1.
What is the InChIKey of [(3R)-3-[(5-chloropyrimidin-2-yl)amino]pyrrolidin-1-yl]-(2,3-dihydro-1H-indol-6-yl)methanone?
The InChIKey is WCOBQURVMIAVLN-CQSZACIVSA-N. The full InChI is InChI=1S/C17H18ClN5O/c18-13-8-20-17(21-9-13)22-14-4-6-23(10-14)16(24)12-2-1-11-3-5-19-15(11)7-12/h1-2,7-9,14,19H,3-6,10H2,(H,20,21,22)/t14-/m1/s1.
What are the key properties of [(3R)-3-[(5-chloropyrimidin-2-yl)amino]pyrrolidin-1-yl]-(2,3-dihydro-1H-indol-6-yl)methanone?
[(3R)-3-[(5-chloropyrimidin-2-yl)amino]pyrrolidin-1-yl]-(2,3-dihydro-1H-indol-6-yl)methanone has a molecular weight of 343.82 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[(5-chloropyrimidin-2-yl)amino]pyrrolidin-1-yl]-(2,3-dihydro-1H-indol-6-yl)methanone is sourced from PubChem (CID 153162079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).