N-[[(7S)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]propan-2-amine

C16H22N4O — CID 97416031

IUPACN-[[(7S)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]propan-2-amine
SMILESCC(C)NC[C@@H]1OCCc2cn(Cc3ccccn3)nc21
InChIInChI=1S/C16H22N4O/c1-12(2)18-9-15-16-13(6-8-21-15)10-20(19-16)11-14-5-3-4-7-17-14/h3-5,7,10,12,15,18H,6,8-9,11H2,1-2H3/t15-/m0/s1
InChIKeyUSAWIRQQHLGOSW-HNNXBMFYSA-N
MW286.38 g/mol
LogP1.94
Rot. Bonds5

About N-[[(7S)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]propan-2-amine

N-[[(7S)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]propan-2-amine (PubChem CID 97416031) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[[(7S)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[(7S)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]propan-2-amine
PubChem CID97416031
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-[[(7S)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]propan-2-amine
SMILESCC(C)NC[C@@H]1OCCc2cn(Cc3ccccn3)nc21
InChIInChI=1S/C16H22N4O/c1-12(2)18-9-15-16-13(6-8-21-15)10-20(19-16)11-14-5-3-4-7-17-14/h3-5,7,10,12,15,18H,6,8-9,11H2,1-2H3/t15-/m0/s1
InChIKeyUSAWIRQQHLGOSW-HNNXBMFYSA-N
XLogP1.94
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(7S)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]propan-2-amine?
The IUPAC name of N-[[(7S)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]propan-2-amine (CID 97416031) is N-[[(7S)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[(7S)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[(7S)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]propan-2-amine is CC(C)NC[C@@H]1OCCc2cn(Cc3ccccn3)nc21.
What is the InChIKey of N-[[(7S)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]propan-2-amine?
The InChIKey is USAWIRQQHLGOSW-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12(2)18-9-15-16-13(6-8-21-15)10-20(19-16)11-14-5-3-4-7-17-14/h3-5,7,10,12,15,18H,6,8-9,11H2,1-2H3/t15-/m0/s1.
What are the key properties of N-[[(7S)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]propan-2-amine?
N-[[(7S)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]propan-2-amine has a molecular weight of 286.38 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(7S)-2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]propan-2-amine is sourced from PubChem (CID 97416031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).