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

C17H24N6O — CID 95575479

IUPAC(4S)-1-methyl-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1ncc2c1CCC[C@@H]2NCc1cnc(N2CCOCC2)nc1
InChIInChI=1S/C17H24N6O/c1-22-16-4-2-3-15(14(16)12-21-22)18-9-13-10-19-17(20-11-13)23-5-7-24-8-6-23/h10-12,15,18H,2-9H2,1H3/t15-/m0/s1
InChIKeyPIYYQWKPTCEIMF-HNNXBMFYSA-N
MW328.42 g/mol
LogP1.21
Rot. Bonds4

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

(4S)-1-methyl-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 95575479) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is (4S)-1-methyl-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name(4S)-1-methyl-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID95575479
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name(4S)-1-methyl-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1ncc2c1CCC[C@@H]2NCc1cnc(N2CCOCC2)nc1
InChIInChI=1S/C17H24N6O/c1-22-16-4-2-3-15(14(16)12-21-22)18-9-13-10-19-17(20-11-13)23-5-7-24-8-6-23/h10-12,15,18H,2-9H2,1H3/t15-/m0/s1
InChIKeyPIYYQWKPTCEIMF-HNNXBMFYSA-N
XLogP1.21
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-methyl-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of (4S)-1-methyl-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine (CID 95575479) is (4S)-1-methyl-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for (4S)-1-methyl-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for (4S)-1-methyl-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine is Cn1ncc2c1CCC[C@@H]2NCc1cnc(N2CCOCC2)nc1.
What is the InChIKey of (4S)-1-methyl-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is PIYYQWKPTCEIMF-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-22-16-4-2-3-15(14(16)12-21-22)18-9-13-10-19-17(20-11-13)23-5-7-24-8-6-23/h10-12,15,18H,2-9H2,1H3/t15-/m0/s1.
What are the key properties of (4S)-1-methyl-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
(4S)-1-methyl-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 328.42 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-methyl-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 95575479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).