3-(methoxymethyl)-1-[(6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)methyl]pyrazole-4-carboxamide

C18H25N5O2 — CID 175693594

IUPAC3-(methoxymethyl)-1-[(6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)methyl]pyrazole-4-carboxamide
SMILESCOCc1nn(Cc2cnc3c(c2)CN(C(C)C)CC3)cc1C(N)=O
InChIInChI=1S/C18H25N5O2/c1-12(2)22-5-4-16-14(9-22)6-13(7-20-16)8-23-10-15(18(19)24)17(21-23)11-25-3/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H2,19,24)
InChIKeyISHDCLGBNZDMBP-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.34
Rot. Bonds6

About 3-(methoxymethyl)-1-[(6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)methyl]pyrazole-4-carboxamide

3-(methoxymethyl)-1-[(6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)methyl]pyrazole-4-carboxamide (PubChem CID 175693594) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-(methoxymethyl)-1-[(6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(methoxymethyl)-1-[(6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)methyl]pyrazole-4-carboxamide
PubChem CID175693594
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name3-(methoxymethyl)-1-[(6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)methyl]pyrazole-4-carboxamide
SMILESCOCc1nn(Cc2cnc3c(c2)CN(C(C)C)CC3)cc1C(N)=O
InChIInChI=1S/C18H25N5O2/c1-12(2)22-5-4-16-14(9-22)6-13(7-20-16)8-23-10-15(18(19)24)17(21-23)11-25-3/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H2,19,24)
InChIKeyISHDCLGBNZDMBP-UHFFFAOYSA-N
XLogP1.34
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-1-[(6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 3-(methoxymethyl)-1-[(6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)methyl]pyrazole-4-carboxamide (CID 175693594) is 3-(methoxymethyl)-1-[(6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-(methoxymethyl)-1-[(6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-(methoxymethyl)-1-[(6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)methyl]pyrazole-4-carboxamide is COCc1nn(Cc2cnc3c(c2)CN(C(C)C)CC3)cc1C(N)=O.
What is the InChIKey of 3-(methoxymethyl)-1-[(6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is ISHDCLGBNZDMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-12(2)22-5-4-16-14(9-22)6-13(7-20-16)8-23-10-15(18(19)24)17(21-23)11-25-3/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H2,19,24).
What are the key properties of 3-(methoxymethyl)-1-[(6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)methyl]pyrazole-4-carboxamide?
3-(methoxymethyl)-1-[(6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-1-[(6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 175693594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).