[2-[4-[4-[[1-(morpholin-2-ylmethyl)pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]pyrimidin-5-yl]-phenylmethanone

C26H29N11O2 — CID 118031506

IUPAC[2-[4-[4-[[1-(morpholin-2-ylmethyl)pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]pyrimidin-5-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cnc(N2CCN(c3ncnc(Nc4cnn(CC5CNCCO5)c4)n3)CC2)nc1
InChIInChI=1S/C26H29N11O2/c38-23(19-4-2-1-3-5-19)20-12-28-25(29-13-20)35-7-9-36(10-8-35)26-31-18-30-24(34-26)33-21-14-32-37(16-21)17-22-15-27-6-11-39-22/h1-5,12-14,16,18,22,27H,6-11,15,17H2,(H,30,31,33,34)
InChIKeySZFHBYYHNKDOSR-UHFFFAOYSA-N
MW527.59 g/mol
LogP1.15
Rot. Bonds8

About [2-[4-[4-[[1-(morpholin-2-ylmethyl)pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]pyrimidin-5-yl]-phenylmethanone

[2-[4-[4-[[1-(morpholin-2-ylmethyl)pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]pyrimidin-5-yl]-phenylmethanone (PubChem CID 118031506) has the molecular formula C26H29N11O2 and a molecular weight of 527.59 g/mol. Its IUPAC name is [2-[4-[4-[[1-(morpholin-2-ylmethyl)pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]pyrimidin-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-[4-[4-[[1-(morpholin-2-ylmethyl)pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]pyrimidin-5-yl]-phenylmethanone
PubChem CID118031506
Molecular FormulaC26H29N11O2
Molecular Weight527.59 g/mol
Exact Mass527.25
IUPAC Name[2-[4-[4-[[1-(morpholin-2-ylmethyl)pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]pyrimidin-5-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cnc(N2CCN(c3ncnc(Nc4cnn(CC5CNCCO5)c4)n3)CC2)nc1
InChIInChI=1S/C26H29N11O2/c38-23(19-4-2-1-3-5-19)20-12-28-25(29-13-20)35-7-9-36(10-8-35)26-31-18-30-24(34-26)33-21-14-32-37(16-21)17-22-15-27-6-11-39-22/h1-5,12-14,16,18,22,27H,6-11,15,17H2,(H,30,31,33,34)
InChIKeySZFHBYYHNKDOSR-UHFFFAOYSA-N
XLogP1.15
TPSA139.11 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.59
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze [2-[4-[4-[[1-(morpholin-2-ylmethyl)pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]pyrimidin-5-yl]-phenylmethanone with MolForge

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Related Compounds

GSK-3|A inhibitor 13
CID 134551592
US9586948, Example 23
CID 117872334
N-[4-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide
CID 167311801
N-[4-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide
CID 171352056
6-cyclopropyl-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridazine-4-carboxamide
CID 90462044
7-((5-morpholinopyr idin-2-yl)amino)-4-(4,5,6,7-tetrahdropyra-zolo[1,5-a]pyridin-3-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-one
CID 156163659
N-[2-[(2R)-2-(methoxymethyl)-4-pyridin-2-ylpiperazin-1-yl]pyrimidin-5-yl]-6-pyrazol-1-ylpyridine-3-carboxamide
CID 178312907
2-(2-Morpholin-4-yl-ethylamino)-N-[6-(3-pyridin-3-yl-5-trifluoromethyl-pyrazol-1-yl)-pyridin-3-yl]-nicotinamide
CID 57861586
1-[2-(2-Morpholin-4-ylethylamino)pyridin-4-yl]-2-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-3-yl]ethanone
CID 71189643
6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(6-morpholin-4-yl-5-pyrazol-1-yl-3-pyridinyl)amino]pyridine-3-carboxamide
CID 89537427
4-fluoro-N-methyl-3-[2-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide
CID 90435660
4-[4-[5-[(3-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine
CID 118031440

Frequently Asked Questions

What is the IUPAC name of [2-[4-[4-[[1-(morpholin-2-ylmethyl)pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]pyrimidin-5-yl]-phenylmethanone?
The IUPAC name of [2-[4-[4-[[1-(morpholin-2-ylmethyl)pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]pyrimidin-5-yl]-phenylmethanone (CID 118031506) is [2-[4-[4-[[1-(morpholin-2-ylmethyl)pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]pyrimidin-5-yl]-phenylmethanone.
What is the SMILES notation for [2-[4-[4-[[1-(morpholin-2-ylmethyl)pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]pyrimidin-5-yl]-phenylmethanone?
The canonical SMILES for [2-[4-[4-[[1-(morpholin-2-ylmethyl)pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]pyrimidin-5-yl]-phenylmethanone is O=C(c1ccccc1)c1cnc(N2CCN(c3ncnc(Nc4cnn(CC5CNCCO5)c4)n3)CC2)nc1.
What is the InChIKey of [2-[4-[4-[[1-(morpholin-2-ylmethyl)pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]pyrimidin-5-yl]-phenylmethanone?
The InChIKey is SZFHBYYHNKDOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N11O2/c38-23(19-4-2-1-3-5-19)20-12-28-25(29-13-20)35-7-9-36(10-8-35)26-31-18-30-24(34-26)33-21-14-32-37(16-21)17-22-15-27-6-11-39-22/h1-5,12-14,16,18,22,27H,6-11,15,17H2,(H,30,31,33,34).
What are the key properties of [2-[4-[4-[[1-(morpholin-2-ylmethyl)pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]pyrimidin-5-yl]-phenylmethanone?
[2-[4-[4-[[1-(morpholin-2-ylmethyl)pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]pyrimidin-5-yl]-phenylmethanone has a molecular weight of 527.59 g/mol, XLogP of 1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[4-[[1-(morpholin-2-ylmethyl)pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]pyrimidin-5-yl]-phenylmethanone is sourced from PubChem (CID 118031506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).