(7S)-1-methyl-7-(oxan-4-ylmethoxymethyl)-5-pyrimidin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine

C18H25N5O2 — CID 97368461

IUPAC(7S)-1-methyl-7-(oxan-4-ylmethoxymethyl)-5-pyrimidin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCn1cnc2c1[C@@H](COCC1CCOCC1)CN(c1ncccn1)C2
InChIInChI=1S/C18H25N5O2/c1-22-13-21-16-10-23(18-19-5-2-6-20-18)9-15(17(16)22)12-25-11-14-3-7-24-8-4-14/h2,5-6,13-15H,3-4,7-12H2,1H3/t15-/m1/s1
InChIKeyAXMQIIUMBZGBGM-OAHLLOKOSA-N
MW343.43 g/mol
LogP1.76
Rot. Bonds5

About (7S)-1-methyl-7-(oxan-4-ylmethoxymethyl)-5-pyrimidin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine

(7S)-1-methyl-7-(oxan-4-ylmethoxymethyl)-5-pyrimidin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 97368461) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is (7S)-1-methyl-7-(oxan-4-ylmethoxymethyl)-5-pyrimidin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name(7S)-1-methyl-7-(oxan-4-ylmethoxymethyl)-5-pyrimidin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
PubChem CID97368461
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name(7S)-1-methyl-7-(oxan-4-ylmethoxymethyl)-5-pyrimidin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCn1cnc2c1[C@@H](COCC1CCOCC1)CN(c1ncccn1)C2
InChIInChI=1S/C18H25N5O2/c1-22-13-21-16-10-23(18-19-5-2-6-20-18)9-15(17(16)22)12-25-11-14-3-7-24-8-4-14/h2,5-6,13-15H,3-4,7-12H2,1H3/t15-/m1/s1
InChIKeyAXMQIIUMBZGBGM-OAHLLOKOSA-N
XLogP1.76
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-(cyclopropylmethoxymethyl)-1-methyl-5-pyrimidin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 118746030
(7S)-1-methyl-7-(oxan-4-ylmethoxymethyl)-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 97368457
(7S)-7-(ethoxymethyl)-1-methyl-5-(oxan-4-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 97382865
5-cyclobutyl-1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155824149
5-benzyl-1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155863122
2,2,2-trifluoroacetic acid;N,N,1-trimethyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide
CID 118745008
5-(furan-3-ylmethyl)-1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155828384
cyclopenten-1-yl-[1-methyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone;2,2,2-trifluoroacetic acid
CID 155862257
1-[(7S)-1-(cyclopropylmethyl)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone
CID 97368635
(7S)-7-(cyclopropylmethoxymethyl)-N,N,1-trimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide
CID 97382899
[(7S)-7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone
CID 97368383
(7S)-1-(cyclopropylmethyl)-7-(oxan-4-ylmethoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 97368631

Frequently Asked Questions

What is the IUPAC name of (7S)-1-methyl-7-(oxan-4-ylmethoxymethyl)-5-pyrimidin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The IUPAC name of (7S)-1-methyl-7-(oxan-4-ylmethoxymethyl)-5-pyrimidin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 97368461) is (7S)-1-methyl-7-(oxan-4-ylmethoxymethyl)-5-pyrimidin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for (7S)-1-methyl-7-(oxan-4-ylmethoxymethyl)-5-pyrimidin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for (7S)-1-methyl-7-(oxan-4-ylmethoxymethyl)-5-pyrimidin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is Cn1cnc2c1[C@@H](COCC1CCOCC1)CN(c1ncccn1)C2.
What is the InChIKey of (7S)-1-methyl-7-(oxan-4-ylmethoxymethyl)-5-pyrimidin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The InChIKey is AXMQIIUMBZGBGM-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-22-13-21-16-10-23(18-19-5-2-6-20-18)9-15(17(16)22)12-25-11-14-3-7-24-8-4-14/h2,5-6,13-15H,3-4,7-12H2,1H3/t15-/m1/s1.
What are the key properties of (7S)-1-methyl-7-(oxan-4-ylmethoxymethyl)-5-pyrimidin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
(7S)-1-methyl-7-(oxan-4-ylmethoxymethyl)-5-pyrimidin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 343.43 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-1-methyl-7-(oxan-4-ylmethoxymethyl)-5-pyrimidin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 97368461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).