1H-indazol-3-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone

C19H21N5O2 — CID 91800747

IUPAC1H-indazol-3-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
SMILESCNc1cc(C)nc(C2CN(C(=O)c3n[nH]c4ccccc34)CCO2)c1
InChIInChI=1S/C19H21N5O2/c1-12-9-13(20-2)10-16(21-12)17-11-24(7-8-26-17)19(25)18-14-5-3-4-6-15(14)22-23-18/h3-6,9-10,17H,7-8,11H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyUGGQJFCPEJWJFR-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.52
Rot. Bonds3

About 1H-indazol-3-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone

1H-indazol-3-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone (PubChem CID 91800747) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1H-indazol-3-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name1H-indazol-3-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
PubChem CID91800747
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name1H-indazol-3-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
SMILESCNc1cc(C)nc(C2CN(C(=O)c3n[nH]c4ccccc34)CCO2)c1
InChIInChI=1S/C19H21N5O2/c1-12-9-13(20-2)10-16(21-12)17-11-24(7-8-26-17)19(25)18-14-5-3-4-6-15(14)22-23-18/h3-6,9-10,17H,7-8,11H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyUGGQJFCPEJWJFR-UHFFFAOYSA-N
XLogP2.52
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1H-indazol-3-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone?
The IUPAC name of 1H-indazol-3-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone (CID 91800747) is 1H-indazol-3-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone.
What is the SMILES notation for 1H-indazol-3-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone?
The canonical SMILES for 1H-indazol-3-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone is CNc1cc(C)nc(C2CN(C(=O)c3n[nH]c4ccccc34)CCO2)c1.
What is the InChIKey of 1H-indazol-3-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone?
The InChIKey is UGGQJFCPEJWJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-12-9-13(20-2)10-16(21-12)17-11-24(7-8-26-17)19(25)18-14-5-3-4-6-15(14)22-23-18/h3-6,9-10,17H,7-8,11H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 1H-indazol-3-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone?
1H-indazol-3-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone has a molecular weight of 351.41 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-3-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone is sourced from PubChem (CID 91800747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).