N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-4-[5-[3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1H-imidazol-2-yl]pyrimidin-2-amine

C22H22ClN9 — CID 176894456

IUPACN-(5-chloro-2,3-dihydro-1H-inden-2-yl)-4-[5-[3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1H-imidazol-2-yl]pyrimidin-2-amine
SMILESClc1ccc2c(c1)CC(Nc1nccc(-c3ncc(N4CCC(c5cn[nH]n5)C4)[nH]3)n1)C2
InChIInChI=1S/C22H22ClN9/c23-16-2-1-13-8-17(9-15(13)7-16)27-22-24-5-3-18(28-22)21-25-11-20(29-21)32-6-4-14(12-32)19-10-26-31-30-19/h1-3,5,7,10-11,14,17H,4,6,8-9,12H2,(H,25,29)(H,24,27,28)(H,26,30,31)
InChIKeyOIEOGXPOIBLRIN-UHFFFAOYSA-N
MW447.93 g/mol
LogP3.21
Rot. Bonds5

About N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-4-[5-[3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1H-imidazol-2-yl]pyrimidin-2-amine

N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-4-[5-[3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1H-imidazol-2-yl]pyrimidin-2-amine (PubChem CID 176894456) has the molecular formula C22H22ClN9 and a molecular weight of 447.93 g/mol. Its IUPAC name is N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-4-[5-[3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1H-imidazol-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(5-chloro-2,3-dihydro-1H-inden-2-yl)-4-[5-[3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1H-imidazol-2-yl]pyrimidin-2-amine
PubChem CID176894456
Molecular FormulaC22H22ClN9
Molecular Weight447.93 g/mol
Exact Mass447.17
IUPAC NameN-(5-chloro-2,3-dihydro-1H-inden-2-yl)-4-[5-[3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1H-imidazol-2-yl]pyrimidin-2-amine
SMILESClc1ccc2c(c1)CC(Nc1nccc(-c3ncc(N4CCC(c5cn[nH]n5)C4)[nH]3)n1)C2
InChIInChI=1S/C22H22ClN9/c23-16-2-1-13-8-17(9-15(13)7-16)27-22-24-5-3-18(28-22)21-25-11-20(29-21)32-6-4-14(12-32)19-10-26-31-30-19/h1-3,5,7,10-11,14,17H,4,6,8-9,12H2,(H,25,29)(H,24,27,28)(H,26,30,31)
InChIKeyOIEOGXPOIBLRIN-UHFFFAOYSA-N
XLogP3.21
TPSA111.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.93
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-4-[5-[3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1H-imidazol-2-yl]pyrimidin-2-amine with MolForge

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Related Compounds

N-(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)-4-[5-[3-(1,2,4-triazol-1-yl)pyrrolidin-1-yl]-1H-imidazol-2-yl]pyrimidin-2-amine
CID 176894370
N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-5-[5-[3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
CID 169273981
N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-5-[5-[3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
CID 169273871
N-(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)-5-[5-[3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
CID 169273987
4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide
CID 54580034
N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine
CID 162383920
4-(4-chlorophenyl)-N-piperidin-4-ylpyrimidin-2-amine
CID 54584009
[2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-[(2S)-2-(methoxymethyl)azetidin-1-yl]methanone
CID 151676824
N-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-4-(1H-imidazol-5-yl)pyrimidin-2-amine
CID 141271881
N-cyclopropyl-4-[4-(2,4-dichlorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 142732900
N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-1H-indazol-5-amine
CID 115348820
4-[4-(4-chloro-2-fluorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-N-cyclopropylpyrimidin-2-amine
CID 142732897

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-4-[5-[3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1H-imidazol-2-yl]pyrimidin-2-amine?
The IUPAC name of N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-4-[5-[3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1H-imidazol-2-yl]pyrimidin-2-amine (CID 176894456) is N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-4-[5-[3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1H-imidazol-2-yl]pyrimidin-2-amine.
What is the SMILES notation for N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-4-[5-[3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1H-imidazol-2-yl]pyrimidin-2-amine?
The canonical SMILES for N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-4-[5-[3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1H-imidazol-2-yl]pyrimidin-2-amine is Clc1ccc2c(c1)CC(Nc1nccc(-c3ncc(N4CCC(c5cn[nH]n5)C4)[nH]3)n1)C2.
What is the InChIKey of N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-4-[5-[3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1H-imidazol-2-yl]pyrimidin-2-amine?
The InChIKey is OIEOGXPOIBLRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN9/c23-16-2-1-13-8-17(9-15(13)7-16)27-22-24-5-3-18(28-22)21-25-11-20(29-21)32-6-4-14(12-32)19-10-26-31-30-19/h1-3,5,7,10-11,14,17H,4,6,8-9,12H2,(H,25,29)(H,24,27,28)(H,26,30,31).
What are the key properties of N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-4-[5-[3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1H-imidazol-2-yl]pyrimidin-2-amine?
N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-4-[5-[3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1H-imidazol-2-yl]pyrimidin-2-amine has a molecular weight of 447.93 g/mol, XLogP of 3.21, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-4-[5-[3-(2H-triazol-4-yl)pyrrolidin-1-yl]-1H-imidazol-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 176894456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).