[4-(morpholine-4-carbonyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone

C27H28N8O3 — CID 71233741

IUPAC[4-(morpholine-4-carbonyl)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(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C27H28N8O3/c36-25(33-9-11-34(12-10-33)27(37)35-13-15-38-16-14-35)24-18-19-17-20(4-5-21(19)31-24)30-26-29-8-6-23(32-26)22-3-1-2-7-28-22/h1-8,17-18,31H,9-16H2,(H,29,30,32)
InChIKeySDHAGKQOXUAYEX-UHFFFAOYSA-N
MW512.57 g/mol
LogP2.97
Rot. Bonds4

About [4-(morpholine-4-carbonyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone

[4-(morpholine-4-carbonyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone (PubChem CID 71233741) has the molecular formula C27H28N8O3 and a molecular weight of 512.57 g/mol. Its IUPAC name is [4-(morpholine-4-carbonyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone.

Molecular Properties

Compound Name[4-(morpholine-4-carbonyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone
PubChem CID71233741
Molecular FormulaC27H28N8O3
Molecular Weight512.57 g/mol
Exact Mass512.23
IUPAC Name[4-(morpholine-4-carbonyl)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(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C27H28N8O3/c36-25(33-9-11-34(12-10-33)27(37)35-13-15-38-16-14-35)24-18-19-17-20(4-5-21(19)31-24)30-26-29-8-6-23(32-26)22-3-1-2-7-28-22/h1-8,17-18,31H,9-16H2,(H,29,30,32)
InChIKeySDHAGKQOXUAYEX-UHFFFAOYSA-N
XLogP2.97
TPSA119.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.57
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

Trilaciclib
CID 68029831
6-but-3-enyl-4-[1-methyl-6-(morpholine-4-carbonyl)benzimidazol-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 121335283
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
1-((5-(Trifluoroacetylamino)-2-indolyl)carbonyl)-4-(3-(isopropylamino)-2-pyridinyl)piperazine
CID 454730
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

Frequently Asked Questions

What is the IUPAC name of [4-(morpholine-4-carbonyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone?
The IUPAC name of [4-(morpholine-4-carbonyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone (CID 71233741) is [4-(morpholine-4-carbonyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone.
What is the SMILES notation for [4-(morpholine-4-carbonyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone?
The canonical SMILES for [4-(morpholine-4-carbonyl)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(C(=O)N2CCOCC2)CC1.
What is the InChIKey of [4-(morpholine-4-carbonyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone?
The InChIKey is SDHAGKQOXUAYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N8O3/c36-25(33-9-11-34(12-10-33)27(37)35-13-15-38-16-14-35)24-18-19-17-20(4-5-21(19)31-24)30-26-29-8-6-23(32-26)22-3-1-2-7-28-22/h1-8,17-18,31H,9-16H2,(H,29,30,32).
What are the key properties of [4-(morpholine-4-carbonyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone?
[4-(morpholine-4-carbonyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone has a molecular weight of 512.57 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(morpholine-4-carbonyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone is sourced from PubChem (CID 71233741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).