(5S,6S)-6-[2-(cyclopropylmethyl)indazol-6-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-1,3-diazinan-4-one

C26H30N4O — CID 153028783

IUPAC(5S,6S)-6-[2-(cyclopropylmethyl)indazol-6-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-1,3-diazinan-4-one
SMILESCN1CN[C@](C)(c2ccc3cn(CC4CC4)nc3c2)[C@H](c2ccc(C3CC3)cc2)C1=O
InChIInChI=1S/C26H30N4O/c1-26(22-12-11-21-15-30(14-17-3-4-17)28-23(21)13-22)24(25(31)29(2)16-27-26)20-9-7-19(8-10-20)18-5-6-18/h7-13,15,17-18,24,27H,3-6,14,16H2,1-2H3/t24-,26-/m1/s1
InChIKeyVDJYXLPAIQPZKE-AOYPEHQESA-N
MW414.55 g/mol
LogP4.34
Rot. Bonds5

About (5S,6S)-6-[2-(cyclopropylmethyl)indazol-6-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-1,3-diazinan-4-one

(5S,6S)-6-[2-(cyclopropylmethyl)indazol-6-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-1,3-diazinan-4-one (PubChem CID 153028783) has the molecular formula C26H30N4O and a molecular weight of 414.55 g/mol. Its IUPAC name is (5S,6S)-6-[2-(cyclopropylmethyl)indazol-6-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-1,3-diazinan-4-one.

Molecular Properties

Compound Name(5S,6S)-6-[2-(cyclopropylmethyl)indazol-6-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-1,3-diazinan-4-one
PubChem CID153028783
Molecular FormulaC26H30N4O
Molecular Weight414.55 g/mol
Exact Mass414.24
IUPAC Name(5S,6S)-6-[2-(cyclopropylmethyl)indazol-6-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-1,3-diazinan-4-one
SMILESCN1CN[C@](C)(c2ccc3cn(CC4CC4)nc3c2)[C@H](c2ccc(C3CC3)cc2)C1=O
InChIInChI=1S/C26H30N4O/c1-26(22-12-11-21-15-30(14-17-3-4-17)28-23(21)13-22)24(25(31)29(2)16-27-26)20-9-7-19(8-10-20)18-5-6-18/h7-13,15,17-18,24,27H,3-6,14,16H2,1-2H3/t24-,26-/m1/s1
InChIKeyVDJYXLPAIQPZKE-AOYPEHQESA-N
XLogP4.34
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5S,6S)-6-[2-(cyclopropylmethyl)indazol-6-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-1,3-diazinan-4-one with MolForge

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Related Compounds

N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-phenyl-1-propan-2-ylindazole-4-carboxamide
CID 155547840
Alteminostat
CID 58074180
6-[4-[(dimethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]indazole-4-carboxamide
CID 77465683
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-propan-2-ylindazole-4-carboxamide
CID 77465726
US9670142, A74 N-methyl-4-(1-methyl-1H-indazol-6-yl)-N-((1R,3S)-3-propionylamino-cyclopentyl)-benzamide
CID 117763611
US10023543, Example 24
CID 118489132
N-hydroxy-2-(1-methyl-6-(pyridin-4-yl)-1H-indazol-3-yl)-3-phenylpropanamide
CID 126601586
N-(piperidin-4-yl)-1-(m-tolyl)-1H-indazole-6-carboxamide
CID 147651346
US10562891, Example 148
CID 154826831
US10723705, No. I-0204
CID 155883753
N-[3-(1H-indazol-1-yl)propyl]-3-(1-methyl-2-piperidinyl)propanamide
CID 72882961
N-[3-(1H-indazol-1-yl)propyl]-3-(1-methyl-3-piperidinyl)propanamide
CID 72893744

Frequently Asked Questions

What is the IUPAC name of (5S,6S)-6-[2-(cyclopropylmethyl)indazol-6-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-1,3-diazinan-4-one?
The IUPAC name of (5S,6S)-6-[2-(cyclopropylmethyl)indazol-6-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-1,3-diazinan-4-one (CID 153028783) is (5S,6S)-6-[2-(cyclopropylmethyl)indazol-6-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-1,3-diazinan-4-one.
What is the SMILES notation for (5S,6S)-6-[2-(cyclopropylmethyl)indazol-6-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-1,3-diazinan-4-one?
The canonical SMILES for (5S,6S)-6-[2-(cyclopropylmethyl)indazol-6-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-1,3-diazinan-4-one is CN1CN[C@](C)(c2ccc3cn(CC4CC4)nc3c2)[C@H](c2ccc(C3CC3)cc2)C1=O.
What is the InChIKey of (5S,6S)-6-[2-(cyclopropylmethyl)indazol-6-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-1,3-diazinan-4-one?
The InChIKey is VDJYXLPAIQPZKE-AOYPEHQESA-N. The full InChI is InChI=1S/C26H30N4O/c1-26(22-12-11-21-15-30(14-17-3-4-17)28-23(21)13-22)24(25(31)29(2)16-27-26)20-9-7-19(8-10-20)18-5-6-18/h7-13,15,17-18,24,27H,3-6,14,16H2,1-2H3/t24-,26-/m1/s1.
What are the key properties of (5S,6S)-6-[2-(cyclopropylmethyl)indazol-6-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-1,3-diazinan-4-one?
(5S,6S)-6-[2-(cyclopropylmethyl)indazol-6-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-1,3-diazinan-4-one has a molecular weight of 414.55 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-6-[2-(cyclopropylmethyl)indazol-6-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-1,3-diazinan-4-one is sourced from PubChem (CID 153028783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).