3-[7-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenol

C25H29N7O2 — CID 42633177

IUPAC3-[7-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenol
SMILESOc1cccc(-c2nc(N3CCOCC3)c3[nH]cc(C4CCN(Cc5ncc[nH]5)CC4)c3n2)c1
InChIInChI=1S/C25H29N7O2/c33-19-3-1-2-18(14-19)24-29-22-20(15-28-23(22)25(30-24)32-10-12-34-13-11-32)17-4-8-31(9-5-17)16-21-26-6-7-27-21/h1-3,6-7,14-15,17,28,33H,4-5,8-13,16H2,(H,26,27)
InChIKeyDXPCHIHRZMPEOK-UHFFFAOYSA-N
MW459.55 g/mol
LogP3.27
Rot. Bonds5

About 3-[7-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenol

3-[7-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenol (PubChem CID 42633177) has the molecular formula C25H29N7O2 and a molecular weight of 459.55 g/mol. Its IUPAC name is 3-[7-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name3-[7-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenol
PubChem CID42633177
Molecular FormulaC25H29N7O2
Molecular Weight459.55 g/mol
Exact Mass459.24
IUPAC Name3-[7-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenol
SMILESOc1cccc(-c2nc(N3CCOCC3)c3[nH]cc(C4CCN(Cc5ncc[nH]5)CC4)c3n2)c1
InChIInChI=1S/C25H29N7O2/c33-19-3-1-2-18(14-19)24-29-22-20(15-28-23(22)25(30-24)32-10-12-34-13-11-32)17-4-8-31(9-5-17)16-21-26-6-7-27-21/h1-3,6-7,14-15,17,28,33H,4-5,8-13,16H2,(H,26,27)
InChIKeyDXPCHIHRZMPEOK-UHFFFAOYSA-N
XLogP3.27
TPSA106.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2-Morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol
CID 10405525
3-(6-morpholino-9H-purin-2-yl)phenol
CID 16049458
(2R,3R,4S,5R)-2-(6-amino-2-(2-(5-hydroxy-1H-indol-3-yl)ethoxy)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol
CID 16202841
3-[7-(1h-Benzimidazol-5-Yl)-2-(Morpholin-4-Yl)-6,7-Dihydro-5h-Pyrrolo[2,3-D]pyrimidin-4-Yl]phenol
CID 24888922
2-(6-morpholino-9H-purin-2-yl)phenol
CID 135955185
4-(6-morpholino-9H-purin-2-yl)phenol
CID 135955186
2-[[2-[[1-(2-Amino-3-methylbutyl)piperidin-4-yl]amino]-7-methylimidazo[4,5-b]pyridin-3-yl]methyl]-6-methylpyridin-3-ol
CID 22343463
3-{5H-pyrrolo[2,3-b]pyrazin-6-yl}phenol
CID 6538769
3-(4-Morpholinopyrido[3,2-d]pyrimidin-2-yl)phenol
CID 9879653
3-(2-morpholino-7-(pyridin-4-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)phenol
CID 24888752
3-(2-morpholino-7-(pyridin-3-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)phenol
CID 24888918
3-[7-(2-Methyl-pyridin-4-yl)-2-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]-phenol
CID 24889090

Frequently Asked Questions

What is the IUPAC name of 3-[7-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenol?
The IUPAC name of 3-[7-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenol (CID 42633177) is 3-[7-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenol.
What is the SMILES notation for 3-[7-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenol?
The canonical SMILES for 3-[7-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenol is Oc1cccc(-c2nc(N3CCOCC3)c3[nH]cc(C4CCN(Cc5ncc[nH]5)CC4)c3n2)c1.
What is the InChIKey of 3-[7-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenol?
The InChIKey is DXPCHIHRZMPEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O2/c33-19-3-1-2-18(14-19)24-29-22-20(15-28-23(22)25(30-24)32-10-12-34-13-11-32)17-4-8-31(9-5-17)16-21-26-6-7-27-21/h1-3,6-7,14-15,17,28,33H,4-5,8-13,16H2,(H,26,27).
What are the key properties of 3-[7-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenol?
3-[7-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenol has a molecular weight of 459.55 g/mol, XLogP of 3.27, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenol is sourced from PubChem (CID 42633177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).