2,3-dihydroindol-1-yl-[6-[[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]amino]-3-pyridinyl]methanone

C22H29N5O — CID 97316548

IUPAC2,3-dihydroindol-1-yl-[6-[[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]amino]-3-pyridinyl]methanone
SMILESC[C@H](CN1CCN(C)CC1)Nc1ccc(C(=O)N2CCc3ccccc32)cn1
InChIInChI=1S/C22H29N5O/c1-17(16-26-13-11-25(2)12-14-26)24-21-8-7-19(15-23-21)22(28)27-10-9-18-5-3-4-6-20(18)27/h3-8,15,17H,9-14,16H2,1-2H3,(H,23,24)/t17-/m1/s1
InChIKeyFGQARDXBCQGDSV-QGZVFWFLSA-N
MW379.51 g/mol
LogP2.33
Rot. Bonds5

About 2,3-dihydroindol-1-yl-[6-[[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]amino]-3-pyridinyl]methanone

2,3-dihydroindol-1-yl-[6-[[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]amino]-3-pyridinyl]methanone (PubChem CID 97316548) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[6-[[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]amino]-3-pyridinyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[6-[[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]amino]-3-pyridinyl]methanone
PubChem CID97316548
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name2,3-dihydroindol-1-yl-[6-[[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]amino]-3-pyridinyl]methanone
SMILESC[C@H](CN1CCN(C)CC1)Nc1ccc(C(=O)N2CCc3ccccc32)cn1
InChIInChI=1S/C22H29N5O/c1-17(16-26-13-11-25(2)12-14-26)24-21-8-7-19(15-23-21)22(28)27-10-9-18-5-3-4-6-20(18)27/h3-8,15,17H,9-14,16H2,1-2H3,(H,23,24)/t17-/m1/s1
InChIKeyFGQARDXBCQGDSV-QGZVFWFLSA-N
XLogP2.33
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-[[cyclopropyl(phenyl)methyl]amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 133331613
[5-(butan-2-ylamino)pyrazin-2-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109273397
2,3-dihydroindol-1-yl-[6-[(2-hydroxy-2,3-dimethylpentyl)amino]-3-pyridinyl]methanone
CID 133302732
[6-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 133445171
N-[4-[[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide
CID 109162452
3,4-dihydro-2H-quinolin-1-yl-[6-(ethylamino)-3-pyridinyl]methanone
CID 62172128
[5-(butan-2-ylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109225396
2,3-dihydroindol-1-yl-[6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-pyridinyl]methanone
CID 97017175
2,3-dihydroindol-1-yl-[6-[(2-piperidin-1-ylphenyl)methylamino]-3-pyridinyl]methanone
CID 133439711
2,3-dihydroindol-1-yl-[6-(1,3-thiazol-4-ylmethylamino)-3-pyridinyl]methanone
CID 71876414
[6-(butan-2-ylamino)pyridazin-3-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109111436
2,3-dihydroindol-1-yl-[6-[2-(3-methylmorpholin-4-yl)propylamino]-3-pyridinyl]methanone
CID 133302712

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[6-[[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]amino]-3-pyridinyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[6-[[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]amino]-3-pyridinyl]methanone (CID 97316548) is 2,3-dihydroindol-1-yl-[6-[[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]amino]-3-pyridinyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[6-[[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]amino]-3-pyridinyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[6-[[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]amino]-3-pyridinyl]methanone is C[C@H](CN1CCN(C)CC1)Nc1ccc(C(=O)N2CCc3ccccc32)cn1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[6-[[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]amino]-3-pyridinyl]methanone?
The InChIKey is FGQARDXBCQGDSV-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H29N5O/c1-17(16-26-13-11-25(2)12-14-26)24-21-8-7-19(15-23-21)22(28)27-10-9-18-5-3-4-6-20(18)27/h3-8,15,17H,9-14,16H2,1-2H3,(H,23,24)/t17-/m1/s1.
What are the key properties of 2,3-dihydroindol-1-yl-[6-[[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]amino]-3-pyridinyl]methanone?
2,3-dihydroindol-1-yl-[6-[[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]amino]-3-pyridinyl]methanone has a molecular weight of 379.51 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[6-[[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]amino]-3-pyridinyl]methanone is sourced from PubChem (CID 97316548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).