(7S)-7-(methoxymethyl)-1-(oxan-4-ylmethyl)-6-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine

C18H25N5O2 — CID 97390545

IUPAC(7S)-7-(methoxymethyl)-1-(oxan-4-ylmethyl)-6-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
SMILESCOC[C@@H]1c2c(cnn2CC2CCOCC2)CCN1c1ncccn1
InChIInChI=1S/C18H25N5O2/c1-24-13-16-17-15(3-8-22(16)18-19-6-2-7-20-18)11-21-23(17)12-14-4-9-25-10-5-14/h2,6-7,11,14,16H,3-5,8-10,12-13H2,1H3/t16-/m1/s1
InChIKeyZDUZQGJNQVVYIW-MRXNPFEDSA-N
MW343.43 g/mol
LogP1.85
Rot. Bonds5

About (7S)-7-(methoxymethyl)-1-(oxan-4-ylmethyl)-6-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine

(7S)-7-(methoxymethyl)-1-(oxan-4-ylmethyl)-6-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine (PubChem CID 97390545) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is (7S)-7-(methoxymethyl)-1-(oxan-4-ylmethyl)-6-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine.

Molecular Properties

Compound Name(7S)-7-(methoxymethyl)-1-(oxan-4-ylmethyl)-6-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
PubChem CID97390545
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name(7S)-7-(methoxymethyl)-1-(oxan-4-ylmethyl)-6-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
SMILESCOC[C@@H]1c2c(cnn2CC2CCOCC2)CCN1c1ncccn1
InChIInChI=1S/C18H25N5O2/c1-24-13-16-17-15(3-8-22(16)18-19-6-2-7-20-18)11-21-23(17)12-14-4-9-25-10-5-14/h2,6-7,11,14,16H,3-5,8-10,12-13H2,1H3/t16-/m1/s1
InChIKeyZDUZQGJNQVVYIW-MRXNPFEDSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(7S)-6-(furan-2-ylmethyl)-7-(methoxymethyl)-1-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 97368018
7-(methoxymethyl)-6-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 131658350
[1-(cyclopropylmethyl)-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(2-methoxy-3-pyridinyl)methanone
CID 131639118
6-(furan-3-ylmethyl)-7-(methoxymethyl)-1-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid
CID 171695888
[1-(cyclopropylmethyl)-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-pyrimidin-4-ylmethanone
CID 134072107
5-[[1-(cyclopropylmethyl)-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methyl]-4-methyl-1,3-thiazole
CID 134072108
2-methoxy-1-[7-(methoxymethyl)-1-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]ethanone
CID 131644403
1-[1-(cyclopropylmethyl)-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-thiophen-2-ylethanone;2,2,2-trifluoroacetic acid
CID 155862425
1-[(7R)-1-(cyclopropylmethyl)-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-fluorophenyl)ethanone
CID 97368015
1-(oxan-4-ylmethyl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 134828426
cyclopenten-1-yl-[7-(methoxymethyl)-1-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methanone
CID 131649734
5-chloro-4-methoxy-1-(oxan-4-ylmethyl)pyrazole
CID 117231984

Frequently Asked Questions

What is the IUPAC name of (7S)-7-(methoxymethyl)-1-(oxan-4-ylmethyl)-6-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The IUPAC name of (7S)-7-(methoxymethyl)-1-(oxan-4-ylmethyl)-6-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine (CID 97390545) is (7S)-7-(methoxymethyl)-1-(oxan-4-ylmethyl)-6-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine.
What is the SMILES notation for (7S)-7-(methoxymethyl)-1-(oxan-4-ylmethyl)-6-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The canonical SMILES for (7S)-7-(methoxymethyl)-1-(oxan-4-ylmethyl)-6-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine is COC[C@@H]1c2c(cnn2CC2CCOCC2)CCN1c1ncccn1.
What is the InChIKey of (7S)-7-(methoxymethyl)-1-(oxan-4-ylmethyl)-6-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The InChIKey is ZDUZQGJNQVVYIW-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-24-13-16-17-15(3-8-22(16)18-19-6-2-7-20-18)11-21-23(17)12-14-4-9-25-10-5-14/h2,6-7,11,14,16H,3-5,8-10,12-13H2,1H3/t16-/m1/s1.
What are the key properties of (7S)-7-(methoxymethyl)-1-(oxan-4-ylmethyl)-6-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
(7S)-7-(methoxymethyl)-1-(oxan-4-ylmethyl)-6-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine has a molecular weight of 343.43 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(methoxymethyl)-1-(oxan-4-ylmethyl)-6-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine is sourced from PubChem (CID 97390545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).