(3R)-3-(6-methoxy-3-pyridinyl)-3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]propan-1-ol

C22H26N6O2 — CID 25032348

IUPAC(3R)-3-(6-methoxy-3-pyridinyl)-3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]propan-1-ol
SMILESCOc1ccc([C@@H](CCO)Nc2ncnc3c2CN(c2ccc(C)cn2)CC3)cn1
InChIInChI=1S/C22H26N6O2/c1-15-3-5-20(23-11-15)28-9-7-19-17(13-28)22(26-14-25-19)27-18(8-10-29)16-4-6-21(30-2)24-12-16/h3-6,11-12,14,18,29H,7-10,13H2,1-2H3,(H,25,26,27)/t18-/m1/s1
InChIKeyPUIPLPMBTAVSBG-GOSISDBHSA-N
MW406.49 g/mol
LogP2.68
Rot. Bonds7

About (3R)-3-(6-methoxy-3-pyridinyl)-3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]propan-1-ol

(3R)-3-(6-methoxy-3-pyridinyl)-3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]propan-1-ol (PubChem CID 25032348) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is (3R)-3-(6-methoxy-3-pyridinyl)-3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name(3R)-3-(6-methoxy-3-pyridinyl)-3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]propan-1-ol
PubChem CID25032348
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name(3R)-3-(6-methoxy-3-pyridinyl)-3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]propan-1-ol
SMILESCOc1ccc([C@@H](CCO)Nc2ncnc3c2CN(c2ccc(C)cn2)CC3)cn1
InChIInChI=1S/C22H26N6O2/c1-15-3-5-20(23-11-15)28-9-7-19-17(13-28)22(26-14-25-19)27-18(8-10-29)16-4-6-21(30-2)24-12-16/h3-6,11-12,14,18,29H,7-10,13H2,1-2H3,(H,25,26,27)/t18-/m1/s1
InChIKeyPUIPLPMBTAVSBG-GOSISDBHSA-N
XLogP2.68
TPSA96.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (3R)-3-(6-methoxy-3-pyridinyl)-3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]propan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(6-methoxy-3-pyridinyl)-3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]propan-1-ol?
The IUPAC name of (3R)-3-(6-methoxy-3-pyridinyl)-3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]propan-1-ol (CID 25032348) is (3R)-3-(6-methoxy-3-pyridinyl)-3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]propan-1-ol.
What is the SMILES notation for (3R)-3-(6-methoxy-3-pyridinyl)-3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]propan-1-ol?
The canonical SMILES for (3R)-3-(6-methoxy-3-pyridinyl)-3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]propan-1-ol is COc1ccc([C@@H](CCO)Nc2ncnc3c2CN(c2ccc(C)cn2)CC3)cn1.
What is the InChIKey of (3R)-3-(6-methoxy-3-pyridinyl)-3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]propan-1-ol?
The InChIKey is PUIPLPMBTAVSBG-GOSISDBHSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-15-3-5-20(23-11-15)28-9-7-19-17(13-28)22(26-14-25-19)27-18(8-10-29)16-4-6-21(30-2)24-12-16/h3-6,11-12,14,18,29H,7-10,13H2,1-2H3,(H,25,26,27)/t18-/m1/s1.
What are the key properties of (3R)-3-(6-methoxy-3-pyridinyl)-3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]propan-1-ol?
(3R)-3-(6-methoxy-3-pyridinyl)-3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]propan-1-ol has a molecular weight of 406.49 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(6-methoxy-3-pyridinyl)-3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 25032348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).