(2R,3S)-2-methyl-N-(1-propan-2-ylindazol-6-yl)morpholine-3-carboxamide

C16H22N4O2 — CID 120928646

IUPAC(2R,3S)-2-methyl-N-(1-propan-2-ylindazol-6-yl)morpholine-3-carboxamide
SMILESCC(C)n1ncc2ccc(NC(=O)[C@H]3NCCO[C@@H]3C)cc21
InChIInChI=1S/C16H22N4O2/c1-10(2)20-14-8-13(5-4-12(14)9-18-20)19-16(21)15-11(3)22-7-6-17-15/h4-5,8-11,15,17H,6-7H2,1-3H3,(H,19,21)/t11-,15+/m1/s1
InChIKeyYSKDALOLALYSHG-ABAIWWIYSA-N
MW302.38 g/mol
LogP1.93
Rot. Bonds3

About (2R,3S)-2-methyl-N-(1-propan-2-ylindazol-6-yl)morpholine-3-carboxamide

(2R,3S)-2-methyl-N-(1-propan-2-ylindazol-6-yl)morpholine-3-carboxamide (PubChem CID 120928646) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-(1-propan-2-ylindazol-6-yl)morpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-(1-propan-2-ylindazol-6-yl)morpholine-3-carboxamide
PubChem CID120928646
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name(2R,3S)-2-methyl-N-(1-propan-2-ylindazol-6-yl)morpholine-3-carboxamide
SMILESCC(C)n1ncc2ccc(NC(=O)[C@H]3NCCO[C@@H]3C)cc21
InChIInChI=1S/C16H22N4O2/c1-10(2)20-14-8-13(5-4-12(14)9-18-20)19-16(21)15-11(3)22-7-6-17-15/h4-5,8-11,15,17H,6-7H2,1-3H3,(H,19,21)/t11-,15+/m1/s1
InChIKeyYSKDALOLALYSHG-ABAIWWIYSA-N
XLogP1.93
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]morpholine-3-carboxamide
CID 120940198
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CID 120916743
(2R,3S)-2-methyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]morpholine-3-carboxamide
CID 120921411
(2R,3S)-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-methylmorpholine-3-carboxamide
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(2R,3S)-2-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)morpholine-3-carboxamide
CID 120938679
(2R,3S)-2-methyl-N-(2-methylimidazo[1,2-a]pyridin-6-yl)morpholine-3-carboxamide
CID 120940913
(2R,3S)-2-methyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]morpholine-3-carboxamide
CID 120939084
(2R,3S)-2-methyl-N-[4-(propan-2-ylcarbamoyl)phenyl]morpholine-3-carboxamide
CID 120926510
(2R,3S)-N-(4-iodophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917297
3-amino-N-(1-propan-2-ylindazol-6-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119756804
(2R,3S)-2-methyl-N-pyridin-3-ylmorpholine-3-carboxamide
CID 120937694
(2R,3S)-N-(3-bromo-4-fluorophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120922063

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-(1-propan-2-ylindazol-6-yl)morpholine-3-carboxamide?
The IUPAC name of (2R,3S)-2-methyl-N-(1-propan-2-ylindazol-6-yl)morpholine-3-carboxamide (CID 120928646) is (2R,3S)-2-methyl-N-(1-propan-2-ylindazol-6-yl)morpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-methyl-N-(1-propan-2-ylindazol-6-yl)morpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-2-methyl-N-(1-propan-2-ylindazol-6-yl)morpholine-3-carboxamide is CC(C)n1ncc2ccc(NC(=O)[C@H]3NCCO[C@@H]3C)cc21.
What is the InChIKey of (2R,3S)-2-methyl-N-(1-propan-2-ylindazol-6-yl)morpholine-3-carboxamide?
The InChIKey is YSKDALOLALYSHG-ABAIWWIYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-10(2)20-14-8-13(5-4-12(14)9-18-20)19-16(21)15-11(3)22-7-6-17-15/h4-5,8-11,15,17H,6-7H2,1-3H3,(H,19,21)/t11-,15+/m1/s1.
What are the key properties of (2R,3S)-2-methyl-N-(1-propan-2-ylindazol-6-yl)morpholine-3-carboxamide?
(2R,3S)-2-methyl-N-(1-propan-2-ylindazol-6-yl)morpholine-3-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-(1-propan-2-ylindazol-6-yl)morpholine-3-carboxamide is sourced from PubChem (CID 120928646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).