[1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(2,5-dimethyl-1H-pyrrol-3-yl)methanone

C18H25N5O2 — CID 118739252

IUPAC[1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(2,5-dimethyl-1H-pyrrol-3-yl)methanone
SMILESCOCC1c2nnn(CC3CC3)c2CCN1C(=O)c1cc(C)[nH]c1C
InChIInChI=1S/C18H25N5O2/c1-11-8-14(12(2)19-11)18(24)22-7-6-15-17(16(22)10-25-3)20-21-23(15)9-13-4-5-13/h8,13,16,19H,4-7,9-10H2,1-3H3
InChIKeyNZKLCJGQIWNJIW-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.02
Rot. Bonds5

About [1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(2,5-dimethyl-1H-pyrrol-3-yl)methanone

[1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(2,5-dimethyl-1H-pyrrol-3-yl)methanone (PubChem CID 118739252) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(2,5-dimethyl-1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(2,5-dimethyl-1H-pyrrol-3-yl)methanone
PubChem CID118739252
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name[1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(2,5-dimethyl-1H-pyrrol-3-yl)methanone
SMILESCOCC1c2nnn(CC3CC3)c2CCN1C(=O)c1cc(C)[nH]c1C
InChIInChI=1S/C18H25N5O2/c1-11-8-14(12(2)19-11)18(24)22-7-6-15-17(16(22)10-25-3)20-21-23(15)9-13-4-5-13/h8,13,16,19H,4-7,9-10H2,1-3H3
InChIKeyNZKLCJGQIWNJIW-UHFFFAOYSA-N
XLogP2.02
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(2,5-dimethyl-1H-pyrrol-3-yl)methanone with MolForge

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Related Compounds

1-[1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-methoxyethanone
CID 131649970
1-[(4R)-1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-2-methylsulfonylethanone
CID 97368853
[1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
CID 118739257
(4,5-difluoro-2-methylphenyl)-[(4R)-1-ethyl-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
CID 97390850
1-(cyclopropylmethyl)-4-(methoxymethyl)-5-(oxan-4-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 131659963
3-[[1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]-5-methyl-1,2-oxazole
CID 131660751
(4S)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 97383191
(4S)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 97383189
2-[[1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole
CID 131658939
(4R)-1-(cyclopropylmethyl)-4-(methoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 97368805
5-(cyclopentylmethyl)-1-ethyl-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 131650197
[(4R)-4-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(5-methylfuran-2-yl)methanone
CID 97368726

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(2,5-dimethyl-1H-pyrrol-3-yl)methanone?
The IUPAC name of [1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(2,5-dimethyl-1H-pyrrol-3-yl)methanone (CID 118739252) is [1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(2,5-dimethyl-1H-pyrrol-3-yl)methanone.
What is the SMILES notation for [1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(2,5-dimethyl-1H-pyrrol-3-yl)methanone?
The canonical SMILES for [1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(2,5-dimethyl-1H-pyrrol-3-yl)methanone is COCC1c2nnn(CC3CC3)c2CCN1C(=O)c1cc(C)[nH]c1C.
What is the InChIKey of [1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(2,5-dimethyl-1H-pyrrol-3-yl)methanone?
The InChIKey is NZKLCJGQIWNJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-11-8-14(12(2)19-11)18(24)22-7-6-15-17(16(22)10-25-3)20-21-23(15)9-13-4-5-13/h8,13,16,19H,4-7,9-10H2,1-3H3.
What are the key properties of [1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(2,5-dimethyl-1H-pyrrol-3-yl)methanone?
[1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(2,5-dimethyl-1H-pyrrol-3-yl)methanone has a molecular weight of 343.43 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(2,5-dimethyl-1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 118739252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).