[7-(cyclopropylmethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(5-methoxypyrimidin-2-yl)methanone

C18H23N5O3 — CID 155871724

IUPAC[7-(cyclopropylmethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(5-methoxypyrimidin-2-yl)methanone
SMILESCOc1cnc(C(=O)N2Cc3cn(C)nc3C(COCC3CC3)C2)nc1
InChIInChI=1S/C18H23N5O3/c1-22-7-13-8-23(18(24)17-19-5-15(25-2)6-20-17)9-14(16(13)21-22)11-26-10-12-3-4-12/h5-7,12,14H,3-4,8-11H2,1-2H3
InChIKeyIXCDELVQFPFRAK-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.38
Rot. Bonds6

About [7-(cyclopropylmethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(5-methoxypyrimidin-2-yl)methanone

[7-(cyclopropylmethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(5-methoxypyrimidin-2-yl)methanone (PubChem CID 155871724) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is [7-(cyclopropylmethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(5-methoxypyrimidin-2-yl)methanone.

Molecular Properties

Compound Name[7-(cyclopropylmethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(5-methoxypyrimidin-2-yl)methanone
PubChem CID155871724
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name[7-(cyclopropylmethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(5-methoxypyrimidin-2-yl)methanone
SMILESCOc1cnc(C(=O)N2Cc3cn(C)nc3C(COCC3CC3)C2)nc1
InChIInChI=1S/C18H23N5O3/c1-22-7-13-8-23(18(24)17-19-5-15(25-2)6-20-17)9-14(16(13)21-22)11-26-10-12-3-4-12/h5-7,12,14H,3-4,8-11H2,1-2H3
InChIKeyIXCDELVQFPFRAK-UHFFFAOYSA-N
XLogP1.38
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [7-(cyclopropylmethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(5-methoxypyrimidin-2-yl)methanone?
The IUPAC name of [7-(cyclopropylmethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(5-methoxypyrimidin-2-yl)methanone (CID 155871724) is [7-(cyclopropylmethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(5-methoxypyrimidin-2-yl)methanone.
What is the SMILES notation for [7-(cyclopropylmethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(5-methoxypyrimidin-2-yl)methanone?
The canonical SMILES for [7-(cyclopropylmethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(5-methoxypyrimidin-2-yl)methanone is COc1cnc(C(=O)N2Cc3cn(C)nc3C(COCC3CC3)C2)nc1.
What is the InChIKey of [7-(cyclopropylmethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(5-methoxypyrimidin-2-yl)methanone?
The InChIKey is IXCDELVQFPFRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-22-7-13-8-23(18(24)17-19-5-15(25-2)6-20-17)9-14(16(13)21-22)11-26-10-12-3-4-12/h5-7,12,14H,3-4,8-11H2,1-2H3.
What are the key properties of [7-(cyclopropylmethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(5-methoxypyrimidin-2-yl)methanone?
[7-(cyclopropylmethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(5-methoxypyrimidin-2-yl)methanone has a molecular weight of 357.41 g/mol, XLogP of 1.38, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(cyclopropylmethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(5-methoxypyrimidin-2-yl)methanone is sourced from PubChem (CID 155871724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).