3-cyclopentyl-N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

C22H30N6O2 — CID 139024030

IUPAC3-cyclopentyl-N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
SMILESCC1c2nnc(C3CCCC3)n2CCN1C(=O)NCc1ccc(OCC2CC2)nc1
InChIInChI=1S/C22H30N6O2/c1-15-20-25-26-21(18-4-2-3-5-18)28(20)11-10-27(15)22(29)24-13-17-8-9-19(23-12-17)30-14-16-6-7-16/h8-9,12,15-16,18H,2-7,10-11,13-14H2,1H3,(H,24,29)
InChIKeyMLJKWKPBADLGLA-UHFFFAOYSA-N
MW410.52 g/mol
LogP3.41
Rot. Bonds6

About 3-cyclopentyl-N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

3-cyclopentyl-N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide (PubChem CID 139024030) has the molecular formula C22H30N6O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 3-cyclopentyl-N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
PubChem CID139024030
Molecular FormulaC22H30N6O2
Molecular Weight410.52 g/mol
Exact Mass410.24
IUPAC Name3-cyclopentyl-N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
SMILESCC1c2nnc(C3CCCC3)n2CCN1C(=O)NCc1ccc(OCC2CC2)nc1
InChIInChI=1S/C22H30N6O2/c1-15-20-25-26-21(18-4-2-3-5-18)28(20)11-10-27(15)22(29)24-13-17-8-9-19(23-12-17)30-14-16-6-7-16/h8-9,12,15-16,18H,2-7,10-11,13-14H2,1H3,(H,24,29)
InChIKeyMLJKWKPBADLGLA-UHFFFAOYSA-N
XLogP3.41
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-cyclopentyl-N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide with MolForge

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Related Compounds

N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-4-methylpiperidine-1-carboxamide
CID 60610851
(8S)-3-cyclopentyl-8-methyl-N-[(3-methylfuran-2-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 164638942
3-cyclopentyl-8-methyl-N-[(3-methylfuran-2-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 136544363
3-cyclopentyl-8-methyl-N-[[5-(phenoxymethyl)-1H-1,2,4-triazol-3-yl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 139000767
1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-3-[3-[(2R)-2-methylpiperidin-1-yl]propyl]urea
CID 95687305
1-[(2R)-2-(azepan-1-yl)-3-methylbutyl]-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]urea
CID 97078290
3-cyclopentyl-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 154795632
N-[(6-methoxy-3-pyridinyl)methyl]-2-pyridin-4-ylazepane-1-carboxamide
CID 87003003
1-(1-cyclohexylpiperidin-3-yl)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]urea
CID 86904655
N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430830
1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 60610661
N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-(2-methoxyphenyl)acetamide
CID 51102664

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The IUPAC name of 3-cyclopentyl-N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide (CID 139024030) is 3-cyclopentyl-N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide.
What is the SMILES notation for 3-cyclopentyl-N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The canonical SMILES for 3-cyclopentyl-N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide is CC1c2nnc(C3CCCC3)n2CCN1C(=O)NCc1ccc(OCC2CC2)nc1.
What is the InChIKey of 3-cyclopentyl-N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The InChIKey is MLJKWKPBADLGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O2/c1-15-20-25-26-21(18-4-2-3-5-18)28(20)11-10-27(15)22(29)24-13-17-8-9-19(23-12-17)30-14-16-6-7-16/h8-9,12,15-16,18H,2-7,10-11,13-14H2,1H3,(H,24,29).
What are the key properties of 3-cyclopentyl-N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
3-cyclopentyl-N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide is sourced from PubChem (CID 139024030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).