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

C18H20N4O2 — CID 97382432

IUPACN-(furan-2-ylmethyl)-1-[(7S)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methanamine
SMILESc1ccc(Cn2cc3c(n2)[C@H](CNCc2ccco2)OCC3)nc1
InChIInChI=1S/C18H20N4O2/c1-2-7-20-15(4-1)13-22-12-14-6-9-24-17(18(14)21-22)11-19-10-16-5-3-8-23-16/h1-5,7-8,12,17,19H,6,9-11,13H2/t17-/m0/s1
InChIKeyVYRMVRGFUFCPHY-KRWDZBQOSA-N
MW324.38 g/mol
LogP2.32
Rot. Bonds6

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

N-(furan-2-ylmethyl)-1-[(7S)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methanamine (PubChem CID 97382432) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-[(7S)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methanamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-[(7S)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methanamine
PubChem CID97382432
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-(furan-2-ylmethyl)-1-[(7S)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methanamine
SMILESc1ccc(Cn2cc3c(n2)[C@H](CNCc2ccco2)OCC3)nc1
InChIInChI=1S/C18H20N4O2/c1-2-7-20-15(4-1)13-22-12-14-6-9-24-17(18(14)21-22)11-19-10-16-5-3-8-23-16/h1-5,7-8,12,17,19H,6,9-11,13H2/t17-/m0/s1
InChIKeyVYRMVRGFUFCPHY-KRWDZBQOSA-N
XLogP2.32
TPSA65.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-[(7S)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methanamine?
The IUPAC name of N-(furan-2-ylmethyl)-1-[(7S)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methanamine (CID 97382432) is N-(furan-2-ylmethyl)-1-[(7S)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methanamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-[(7S)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methanamine?
The canonical SMILES for N-(furan-2-ylmethyl)-1-[(7S)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methanamine is c1ccc(Cn2cc3c(n2)[C@H](CNCc2ccco2)OCC3)nc1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-[(7S)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methanamine?
The InChIKey is VYRMVRGFUFCPHY-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-2-7-20-15(4-1)13-22-12-14-6-9-24-17(18(14)21-22)11-19-10-16-5-3-8-23-16/h1-5,7-8,12,17,19H,6,9-11,13H2/t17-/m0/s1.
What are the key properties of N-(furan-2-ylmethyl)-1-[(7S)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methanamine?
N-(furan-2-ylmethyl)-1-[(7S)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methanamine has a molecular weight of 324.38 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-[(7S)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methanamine is sourced from PubChem (CID 97382432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).