[3-[6-morpholin-4-yl-9-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]purin-2-yl]phenyl]methanol

C26H31N7O2 — CID 25072769

IUPAC[3-[6-morpholin-4-yl-9-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]purin-2-yl]phenyl]methanol
SMILESOCc1cccc(-c2nc(N3CCOCC3)c3ncn(C4CCN(Cc5ccc[nH]5)CC4)c3n2)c1
InChIInChI=1S/C26H31N7O2/c34-17-19-3-1-4-20(15-19)24-29-25(32-11-13-35-14-12-32)23-26(30-24)33(18-28-23)22-6-9-31(10-7-22)16-21-5-2-8-27-21/h1-5,8,15,18,22,27,34H,6-7,9-14,16-17H2
InChIKeyBTUWLMVKSGRZQQ-UHFFFAOYSA-N
MW473.58 g/mol
LogP2.99
Rot. Bonds6

About [3-[6-morpholin-4-yl-9-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]purin-2-yl]phenyl]methanol

[3-[6-morpholin-4-yl-9-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]purin-2-yl]phenyl]methanol (PubChem CID 25072769) has the molecular formula C26H31N7O2 and a molecular weight of 473.58 g/mol. Its IUPAC name is [3-[6-morpholin-4-yl-9-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]purin-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[6-morpholin-4-yl-9-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]purin-2-yl]phenyl]methanol
PubChem CID25072769
Molecular FormulaC26H31N7O2
Molecular Weight473.58 g/mol
Exact Mass473.25
IUPAC Name[3-[6-morpholin-4-yl-9-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]purin-2-yl]phenyl]methanol
SMILESOCc1cccc(-c2nc(N3CCOCC3)c3ncn(C4CCN(Cc5ccc[nH]5)CC4)c3n2)c1
InChIInChI=1S/C26H31N7O2/c34-17-19-3-1-4-20(15-19)24-29-25(32-11-13-35-14-12-32)23-26(30-24)33(18-28-23)22-6-9-31(10-7-22)16-21-5-2-8-27-21/h1-5,8,15,18,22,27,34H,6-7,9-14,16-17H2
InChIKeyBTUWLMVKSGRZQQ-UHFFFAOYSA-N
XLogP2.99
TPSA95.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [3-[6-morpholin-4-yl-9-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]purin-2-yl]phenyl]methanol with MolForge

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Related Compounds

(2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol
CID 10224714
8-(1H-indol-4-yl)-2,6-bis((3R)-3-methylmorpholin-4-yl)-7H-purine
CID 60148794
8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-2-[(3S)-3-methylmorpholin-4-yl]-9H-purine
CID 60148924
(2R)-2-{[9-(propan-2-yl)-6-{[4-(pyridin-2-yl)phenyl]amino}-9H-purin-2-yl]amino}butan-1-ol
CID 25053130
(2S)-2-[[9-propan-2-yl-6-[[4-(2-pyridinyl)phenyl]methylamino]-2-purinyl]amino]-1-butanol
CID 25211051
(3R)-3-methyl-4-[1-methyl-6-(1H-pyrrolo[2,3-c]pyridin-4-yl)imidazo[4,5-c]pyridin-4-yl]morpholine
CID 118720886
(4-(6-morpholino-9H-purin-2-yl)phenyl)methanol
CID 25069592
2-((9-Isopropyl-6-((4-(pyridin-2-yl)benzyl)amino)-9H-purin-2-yl)amino)butan-1-ol
CID 21362564
(3-(6-morpholino-9-(piperidin-4-yl)-9H-purin-2-yl)phenyl)methanol
CID 25070551
1-(4-(2-(3-(hydroxymethyl)phenyl)-6-morpholino-9H-purin-9-yl)piperidin-1-yl)ethanone
CID 25070552
(3-(9-((1-benzylpiperidin-4-yl)methyl)-6-morpholino-9H-purin-2-yl)phenyl)methanol
CID 25070555
(3-(9-(1-benzylpiperidin-4-yl)-6-morpholino-9H-purin-2-yl)phenyl)methanol
CID 25070882

Frequently Asked Questions

What is the IUPAC name of [3-[6-morpholin-4-yl-9-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]purin-2-yl]phenyl]methanol?
The IUPAC name of [3-[6-morpholin-4-yl-9-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]purin-2-yl]phenyl]methanol (CID 25072769) is [3-[6-morpholin-4-yl-9-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]purin-2-yl]phenyl]methanol.
What is the SMILES notation for [3-[6-morpholin-4-yl-9-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]purin-2-yl]phenyl]methanol?
The canonical SMILES for [3-[6-morpholin-4-yl-9-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]purin-2-yl]phenyl]methanol is OCc1cccc(-c2nc(N3CCOCC3)c3ncn(C4CCN(Cc5ccc[nH]5)CC4)c3n2)c1.
What is the InChIKey of [3-[6-morpholin-4-yl-9-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]purin-2-yl]phenyl]methanol?
The InChIKey is BTUWLMVKSGRZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O2/c34-17-19-3-1-4-20(15-19)24-29-25(32-11-13-35-14-12-32)23-26(30-24)33(18-28-23)22-6-9-31(10-7-22)16-21-5-2-8-27-21/h1-5,8,15,18,22,27,34H,6-7,9-14,16-17H2.
What are the key properties of [3-[6-morpholin-4-yl-9-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]purin-2-yl]phenyl]methanol?
[3-[6-morpholin-4-yl-9-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]purin-2-yl]phenyl]methanol has a molecular weight of 473.58 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-morpholin-4-yl-9-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]purin-2-yl]phenyl]methanol is sourced from PubChem (CID 25072769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).