N-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]methanamine

C18H21N5O — CID 85472354

IUPACN-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]methanamine
SMILESCNCc1ccc2[nH]nc(-c3ccnc(N4CCOCC4)c3)c2c1
InChIInChI=1S/C18H21N5O/c1-19-12-13-2-3-16-15(10-13)18(22-21-16)14-4-5-20-17(11-14)23-6-8-24-9-7-23/h2-5,10-11,19H,6-9,12H2,1H3,(H,21,22)
InChIKeyKZUQLKQOIMZMAY-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.18
Rot. Bonds4

About N-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]methanamine

N-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]methanamine (PubChem CID 85472354) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]methanamine
PubChem CID85472354
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]methanamine
SMILESCNCc1ccc2[nH]nc(-c3ccnc(N4CCOCC4)c3)c2c1
InChIInChI=1S/C18H21N5O/c1-19-12-13-2-3-16-15(10-13)18(22-21-16)14-4-5-20-17(11-14)23-6-8-24-9-7-23/h2-5,10-11,19H,6-9,12H2,1H3,(H,21,22)
InChIKeyKZUQLKQOIMZMAY-UHFFFAOYSA-N
XLogP2.18
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]methanamine (CID 85472354) is N-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]methanamine is CNCc1ccc2[nH]nc(-c3ccnc(N4CCOCC4)c3)c2c1.
What is the InChIKey of N-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]methanamine?
The InChIKey is KZUQLKQOIMZMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-19-12-13-2-3-16-15(10-13)18(22-21-16)14-4-5-20-17(11-14)23-6-8-24-9-7-23/h2-5,10-11,19H,6-9,12H2,1H3,(H,21,22).
What are the key properties of N-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]methanamine?
N-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]methanamine has a molecular weight of 323.40 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]methanamine is sourced from PubChem (CID 85472354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).