N,N-dimethyl-8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine

C18H20N4O — CID 121379061

IUPACN,N-dimethyl-8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine
SMILESCN(C)C1COCc2c(-c3ccc4cnn(C)c4c3)cncc21
InChIInChI=1S/C18H20N4O/c1-21(2)18-11-23-10-16-14(8-19-9-15(16)18)12-4-5-13-7-20-22(3)17(13)6-12/h4-9,18H,10-11H2,1-3H3
InChIKeyGYGOMKDTAUHRMH-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.77
Rot. Bonds2

About N,N-dimethyl-8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine

N,N-dimethyl-8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine (PubChem CID 121379061) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is N,N-dimethyl-8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine
PubChem CID121379061
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC NameN,N-dimethyl-8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine
SMILESCN(C)C1COCc2c(-c3ccc4cnn(C)c4c3)cncc21
InChIInChI=1S/C18H20N4O/c1-21(2)18-11-23-10-16-14(8-19-9-15(16)18)12-4-5-13-7-20-22(3)17(13)6-12/h4-9,18H,10-11H2,1-3H3
InChIKeyGYGOMKDTAUHRMH-UHFFFAOYSA-N
XLogP2.77
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine?
The IUPAC name of N,N-dimethyl-8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine (CID 121379061) is N,N-dimethyl-8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine.
What is the SMILES notation for N,N-dimethyl-8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine?
The canonical SMILES for N,N-dimethyl-8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine is CN(C)C1COCc2c(-c3ccc4cnn(C)c4c3)cncc21.
What is the InChIKey of N,N-dimethyl-8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine?
The InChIKey is GYGOMKDTAUHRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-21(2)18-11-23-10-16-14(8-19-9-15(16)18)12-4-5-13-7-20-22(3)17(13)6-12/h4-9,18H,10-11H2,1-3H3.
What are the key properties of N,N-dimethyl-8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine?
N,N-dimethyl-8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine has a molecular weight of 308.39 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine is sourced from PubChem (CID 121379061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).