[5-[[5-[(E)-2-(2,3-dihydro-1H-indol-4-yl)ethenyl]pyrimidin-2-yl]amino]-2-pyridinyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

C26H29N7O2 — CID 163812083

IUPAC[5-[[5-[(E)-2-(2,3-dihydro-1H-indol-4-yl)ethenyl]pyrimidin-2-yl]amino]-2-pyridinyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Nc2ncc(/C=C/c3cccc4c3CCN4)cn2)cn1)N1CCN(CCO)CC1
InChIInChI=1S/C26H29N7O2/c34-15-14-32-10-12-33(13-11-32)25(35)24-7-6-21(18-28-24)31-26-29-16-19(17-30-26)4-5-20-2-1-3-23-22(20)8-9-27-23/h1-7,16-18,27,34H,8-15H2,(H,29,30,31)/b5-4+
InChIKeyNODTXKOVCYJRTC-SNAWJCMRSA-N
MW471.57 g/mol
LogP2.50
Rot. Bonds7

About [5-[[5-[(E)-2-(2,3-dihydro-1H-indol-4-yl)ethenyl]pyrimidin-2-yl]amino]-2-pyridinyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

[5-[[5-[(E)-2-(2,3-dihydro-1H-indol-4-yl)ethenyl]pyrimidin-2-yl]amino]-2-pyridinyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (PubChem CID 163812083) has the molecular formula C26H29N7O2 and a molecular weight of 471.57 g/mol. Its IUPAC name is [5-[[5-[(E)-2-(2,3-dihydro-1H-indol-4-yl)ethenyl]pyrimidin-2-yl]amino]-2-pyridinyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-[[5-[(E)-2-(2,3-dihydro-1H-indol-4-yl)ethenyl]pyrimidin-2-yl]amino]-2-pyridinyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
PubChem CID163812083
Molecular FormulaC26H29N7O2
Molecular Weight471.57 g/mol
Exact Mass471.24
IUPAC Name[5-[[5-[(E)-2-(2,3-dihydro-1H-indol-4-yl)ethenyl]pyrimidin-2-yl]amino]-2-pyridinyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Nc2ncc(/C=C/c3cccc4c3CCN4)cn2)cn1)N1CCN(CCO)CC1
InChIInChI=1S/C26H29N7O2/c34-15-14-32-10-12-33(13-11-32)25(35)24-7-6-21(18-28-24)31-26-29-16-19(17-30-26)4-5-20-2-1-3-23-22(20)8-9-27-23/h1-7,16-18,27,34H,8-15H2,(H,29,30,31)/b5-4+
InChIKeyNODTXKOVCYJRTC-SNAWJCMRSA-N
XLogP2.50
TPSA106.51 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.57
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [5-[[5-[(E)-2-(2,3-dihydro-1H-indol-4-yl)ethenyl]pyrimidin-2-yl]amino]-2-pyridinyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-[[5-[2-(1H-indazol-4-yl)ethenyl]pyrimidin-2-yl]amino]phenyl]-piperazin-1-ylmethanone
CID 69445618
[4-(2-hydroxyethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 3268876
2-[4-[4-[[5-[2-(1H-indol-4-yl)ethenyl]pyrimidin-2-yl]amino]phenyl]sulfonylpiperidin-1-yl]ethanol
CID 69443023
(4-ethylpiperazin-1-yl)-[5-(4-fluoroanilino)-2-pyridinyl]methanone
CID 109186689
[5-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109186401
[5-(2,6-difluoroanilino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182712
4-[5-(3-methylanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109186970
(5-anilino-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 109181859
(5-chloropyrazin-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 103817134
[4-(cyclopropylmethyl)piperazin-1-yl]-[5-(methylamino)-2-pyridinyl]methanone
CID 104641069
[4-(2-hydroxyethyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone
CID 110475446
1-[4-[5-(2-morpholin-4-ylethylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109185781

Frequently Asked Questions

What is the IUPAC name of [5-[[5-[(E)-2-(2,3-dihydro-1H-indol-4-yl)ethenyl]pyrimidin-2-yl]amino]-2-pyridinyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The IUPAC name of [5-[[5-[(E)-2-(2,3-dihydro-1H-indol-4-yl)ethenyl]pyrimidin-2-yl]amino]-2-pyridinyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (CID 163812083) is [5-[[5-[(E)-2-(2,3-dihydro-1H-indol-4-yl)ethenyl]pyrimidin-2-yl]amino]-2-pyridinyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-[[5-[(E)-2-(2,3-dihydro-1H-indol-4-yl)ethenyl]pyrimidin-2-yl]amino]-2-pyridinyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for [5-[[5-[(E)-2-(2,3-dihydro-1H-indol-4-yl)ethenyl]pyrimidin-2-yl]amino]-2-pyridinyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is O=C(c1ccc(Nc2ncc(/C=C/c3cccc4c3CCN4)cn2)cn1)N1CCN(CCO)CC1.
What is the InChIKey of [5-[[5-[(E)-2-(2,3-dihydro-1H-indol-4-yl)ethenyl]pyrimidin-2-yl]amino]-2-pyridinyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The InChIKey is NODTXKOVCYJRTC-SNAWJCMRSA-N. The full InChI is InChI=1S/C26H29N7O2/c34-15-14-32-10-12-33(13-11-32)25(35)24-7-6-21(18-28-24)31-26-29-16-19(17-30-26)4-5-20-2-1-3-23-22(20)8-9-27-23/h1-7,16-18,27,34H,8-15H2,(H,29,30,31)/b5-4+.
What are the key properties of [5-[[5-[(E)-2-(2,3-dihydro-1H-indol-4-yl)ethenyl]pyrimidin-2-yl]amino]-2-pyridinyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
[5-[[5-[(E)-2-(2,3-dihydro-1H-indol-4-yl)ethenyl]pyrimidin-2-yl]amino]-2-pyridinyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone has a molecular weight of 471.57 g/mol, XLogP of 2.50, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[5-[(E)-2-(2,3-dihydro-1H-indol-4-yl)ethenyl]pyrimidin-2-yl]amino]-2-pyridinyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 163812083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).