(7S)-N-[(2-chloro-6-morpholin-4-ylphenyl)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine

C21H29ClN4O — CID 164633340

IUPAC(7S)-N-[(2-chloro-6-morpholin-4-ylphenyl)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine
SMILESCC(C)n1ncc2c1[C@@H](NCc1c(Cl)cccc1N1CCOCC1)CCC2
InChIInChI=1S/C21H29ClN4O/c1-15(2)26-21-16(13-24-26)5-3-7-19(21)23-14-17-18(22)6-4-8-20(17)25-9-11-27-12-10-25/h4,6,8,13,15,19,23H,3,5,7,9-12,14H2,1-2H3/t19-/m0/s1
InChIKeyYIQMPQDTXSZDQH-IBGZPJMESA-N
MW388.94 g/mol
LogP4.12
Rot. Bonds5

About (7S)-N-[(2-chloro-6-morpholin-4-ylphenyl)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine

(7S)-N-[(2-chloro-6-morpholin-4-ylphenyl)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine (PubChem CID 164633340) has the molecular formula C21H29ClN4O and a molecular weight of 388.94 g/mol. Its IUPAC name is (7S)-N-[(2-chloro-6-morpholin-4-ylphenyl)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine.

Molecular Properties

Compound Name(7S)-N-[(2-chloro-6-morpholin-4-ylphenyl)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine
PubChem CID164633340
Molecular FormulaC21H29ClN4O
Molecular Weight388.94 g/mol
Exact Mass388.20
IUPAC Name(7S)-N-[(2-chloro-6-morpholin-4-ylphenyl)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine
SMILESCC(C)n1ncc2c1[C@@H](NCc1c(Cl)cccc1N1CCOCC1)CCC2
InChIInChI=1S/C21H29ClN4O/c1-15(2)26-21-16(13-24-26)5-3-7-19(21)23-14-17-18(22)6-4-8-20(17)25-9-11-27-12-10-25/h4,6,8,13,15,19,23H,3,5,7,9-12,14H2,1-2H3/t19-/m0/s1
InChIKeyYIQMPQDTXSZDQH-IBGZPJMESA-N
XLogP4.12
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.94
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7S)-N-[(2-chloro-6-morpholin-4-ylphenyl)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine?
The IUPAC name of (7S)-N-[(2-chloro-6-morpholin-4-ylphenyl)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine (CID 164633340) is (7S)-N-[(2-chloro-6-morpholin-4-ylphenyl)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine.
What is the SMILES notation for (7S)-N-[(2-chloro-6-morpholin-4-ylphenyl)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine?
The canonical SMILES for (7S)-N-[(2-chloro-6-morpholin-4-ylphenyl)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine is CC(C)n1ncc2c1[C@@H](NCc1c(Cl)cccc1N1CCOCC1)CCC2.
What is the InChIKey of (7S)-N-[(2-chloro-6-morpholin-4-ylphenyl)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine?
The InChIKey is YIQMPQDTXSZDQH-IBGZPJMESA-N. The full InChI is InChI=1S/C21H29ClN4O/c1-15(2)26-21-16(13-24-26)5-3-7-19(21)23-14-17-18(22)6-4-8-20(17)25-9-11-27-12-10-25/h4,6,8,13,15,19,23H,3,5,7,9-12,14H2,1-2H3/t19-/m0/s1.
What are the key properties of (7S)-N-[(2-chloro-6-morpholin-4-ylphenyl)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine?
(7S)-N-[(2-chloro-6-morpholin-4-ylphenyl)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine has a molecular weight of 388.94 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-N-[(2-chloro-6-morpholin-4-ylphenyl)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine is sourced from PubChem (CID 164633340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).