[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone

C29H34N8O2 — CID 71233774

IUPAC[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone
SMILESO=C(c1cc2cc(Nc3nccc(-c4ccccn4)n3)ccc2[nH]1)N1CCN(CCCN2CCOCC2)CC1
InChIInChI=1S/C29H34N8O2/c38-28(37-14-12-35(13-15-37)10-3-11-36-16-18-39-19-17-36)27-21-22-20-23(5-6-24(22)33-27)32-29-31-9-7-26(34-29)25-4-1-2-8-30-25/h1-2,4-9,20-21,33H,3,10-19H2,(H,31,32,34)
InChIKeyAUARFNPSFNZZOA-UHFFFAOYSA-N
MW526.65 g/mol
LogP3.24
Rot. Bonds8

About [4-(3-morpholin-4-ylpropyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone

[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone (PubChem CID 71233774) has the molecular formula C29H34N8O2 and a molecular weight of 526.65 g/mol. Its IUPAC name is [4-(3-morpholin-4-ylpropyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone.

Molecular Properties

Compound Name[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone
PubChem CID71233774
Molecular FormulaC29H34N8O2
Molecular Weight526.65 g/mol
Exact Mass526.28
IUPAC Name[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone
SMILESO=C(c1cc2cc(Nc3nccc(-c4ccccn4)n3)ccc2[nH]1)N1CCN(CCCN2CCOCC2)CC1
InChIInChI=1S/C29H34N8O2/c38-28(37-14-12-35(13-15-37)10-3-11-36-16-18-39-19-17-36)27-21-22-20-23(5-6-24(22)33-27)32-29-31-9-7-26(34-29)25-4-1-2-8-30-25/h1-2,4-9,20-21,33H,3,10-19H2,(H,31,32,34)
InChIKeyAUARFNPSFNZZOA-UHFFFAOYSA-N
XLogP3.24
TPSA102.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.65
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [4-(3-morpholin-4-ylpropyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone with MolForge

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Related Compounds

Bay-707
CID 129012086
N-[2-[4-[ethyl-[3-(isopropylamino)-2-pyridyl]amino]piperidine-1-carbonyl]-1H-indol-5-yl]-4-methyl-piperazine-1-sulfonamide
CID 462977
1-[[5-[[(4-Methyl-1-piperazinyl)carbonyl]amino]indol-2-yl]carbonyl]-4-[N-ethyl-N-[3-[(1,1-dimethylethyl)amino]-2-pyridinyl]amino]piperidine
CID 462978
1-((5-((Methoxycarbonyl)amino)-2-indolyl)carbonyl)-4-(3-(isopropylamino)-2-pyridinyl)piperazine
CID 454729
N-[2-[4-[ethyl-[3-(ethylamino)-2-pyridyl]amino]piperidine-1-carbonyl]-1H-indol-5-yl]-4-methyl-piperazine-1-carboxamide
CID 462974
N-[2-[4-[ethyl-[3-(ethylamino)-2-pyridyl]amino]piperidine-1-carbonyl]-1H-indol-5-yl]-4-methyl-piperazine-1-sulfonamide
CID 462975
Piperazine, 1-((5-amino-1H-indol-2-yl)carbonyl)-4-(3-((1-methylethyl)amino)-2-pyridinyl)-
CID 453387
N-[2-({4-[[3-(Isopropylamino)pyridin-2-yl](methyl)amino]piperidin-1-yl}carbonyl)-1H-indol-5-yl]-N'-methylurea
CID 462955
1-[[5-[[(4-Methyl-1-piperazinyl)carbonyl]amino]indol-2-yl]carbonyl]-4-[N-ethyl-N-[3-[(1-methylethyl)amino]-2-pyridinyl]amino]piperidine
CID 462976
Pyrrolo[2,3-d]pyrimidin-6-one deriv. 28d
CID 5329252
Spiro[cyclohexane-1,9'(6'H)-pyrazino[1',2':1,5]pyrrolo[2,3-d]pyrimidin]-6'-one, 7',8'-dihydro-2'-[[5-(1-piperazinyl)-2-pyridinyl]amino]-
CID 89798202
N-[2-(Dimethylamino)ethyl]-4-({[4-(7-ethyl-4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)phenyl]carbamoyl}amino)benzamide
CID 44600010

Frequently Asked Questions

What is the IUPAC name of [4-(3-morpholin-4-ylpropyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone?
The IUPAC name of [4-(3-morpholin-4-ylpropyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone (CID 71233774) is [4-(3-morpholin-4-ylpropyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone.
What is the SMILES notation for [4-(3-morpholin-4-ylpropyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone?
The canonical SMILES for [4-(3-morpholin-4-ylpropyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone is O=C(c1cc2cc(Nc3nccc(-c4ccccn4)n3)ccc2[nH]1)N1CCN(CCCN2CCOCC2)CC1.
What is the InChIKey of [4-(3-morpholin-4-ylpropyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone?
The InChIKey is AUARFNPSFNZZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N8O2/c38-28(37-14-12-35(13-15-37)10-3-11-36-16-18-39-19-17-36)27-21-22-20-23(5-6-24(22)33-27)32-29-31-9-7-26(34-29)25-4-1-2-8-30-25/h1-2,4-9,20-21,33H,3,10-19H2,(H,31,32,34).
What are the key properties of [4-(3-morpholin-4-ylpropyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone?
[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone has a molecular weight of 526.65 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-morpholin-4-ylpropyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone is sourced from PubChem (CID 71233774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).