1-cyclohexyl-N-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]methanamine

C20H28N4O — CID 134072099

IUPAC1-cyclohexyl-N-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]methanamine
SMILESc1ccc(Cn2cc3c(n2)C(CNCC2CCCCC2)OCC3)nc1
InChIInChI=1S/C20H28N4O/c1-2-6-16(7-3-1)12-21-13-19-20-17(9-11-25-19)14-24(23-20)15-18-8-4-5-10-22-18/h4-5,8,10,14,16,19,21H,1-3,6-7,9,11-13,15H2
InChIKeySXHZREJORPSKCK-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.11
Rot. Bonds6

About 1-cyclohexyl-N-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]methanamine

1-cyclohexyl-N-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]methanamine (PubChem CID 134072099) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-cyclohexyl-N-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]methanamine
PubChem CID134072099
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name1-cyclohexyl-N-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]methanamine
SMILESc1ccc(Cn2cc3c(n2)C(CNCC2CCCCC2)OCC3)nc1
InChIInChI=1S/C20H28N4O/c1-2-6-16(7-3-1)12-21-13-19-20-17(9-11-25-19)14-24(23-20)15-18-8-4-5-10-22-18/h4-5,8,10,14,16,19,21H,1-3,6-7,9,11-13,15H2
InChIKeySXHZREJORPSKCK-UHFFFAOYSA-N
XLogP3.11
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(7S)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]propan-2-amine
CID 97416031
N-(furan-2-ylmethyl)-1-[(7S)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methanamine
CID 97382432
1-cyclohexyl-N-[[(7R)-2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]methanamine
CID 97390480
N-[[(7S)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]thiophene-2-carboxamide
CID 97382446
N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-2-(oxan-4-yl)acetamide
CID 131681466
N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 131681306
1-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-3-(oxolan-2-ylmethyl)urea
CID 131682668
1-[(7R)-2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 97382394
N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]oxane-4-carboxamide
CID 131681343
8-methyl-N-(oxan-2-ylmethyl)-2-(pyridin-2-ylmethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 156790615
(2S)-1-(cyclohexylmethylamino)-3-pyridin-2-ylpropan-2-ol
CID 70411130
N-[[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155849828

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]methanamine?
The IUPAC name of 1-cyclohexyl-N-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]methanamine (CID 134072099) is 1-cyclohexyl-N-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]methanamine.
What is the SMILES notation for 1-cyclohexyl-N-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]methanamine?
The canonical SMILES for 1-cyclohexyl-N-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]methanamine is c1ccc(Cn2cc3c(n2)C(CNCC2CCCCC2)OCC3)nc1.
What is the InChIKey of 1-cyclohexyl-N-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]methanamine?
The InChIKey is SXHZREJORPSKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-2-6-16(7-3-1)12-21-13-19-20-17(9-11-25-19)14-24(23-20)15-18-8-4-5-10-22-18/h4-5,8,10,14,16,19,21H,1-3,6-7,9,11-13,15H2.
What are the key properties of 1-cyclohexyl-N-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]methanamine?
1-cyclohexyl-N-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]methanamine has a molecular weight of 340.47 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]methanamine is sourced from PubChem (CID 134072099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).