N-[(2S)-3-[[[(1S)-1-amino-1-methyl-2,3-dihydroinden-5-yl]amino]methoxy]-1,1-dicyclopropylpropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide

C27H39N5O2 — CID 177368772

IUPACN-[(2S)-3-[[[(1S)-1-amino-1-methyl-2,3-dihydroinden-5-yl]amino]methoxy]-1,1-dicyclopropylpropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1nccc1C(=O)N[C@H](COCNc1ccc2c(c1)CC[C@]2(C)N)C(C1CC1)C1CC1
InChIInChI=1S/C27H39N5O2/c1-17(2)32-24(11-13-30-32)26(33)31-23(25(18-4-5-18)19-6-7-19)15-34-16-29-21-8-9-22-20(14-21)10-12-27(22,3)28/h8-9,11,13-14,17-19,23,25,29H,4-7,10,12,15-16,28H2,1-3H3,(H,31,33)/t23-,27+/m1/s1
InChIKeyBETANNKEGJBEAV-KCWPFWIISA-N
MW465.64 g/mol
LogP4.20
Rot. Bonds11

About N-[(2S)-3-[[[(1S)-1-amino-1-methyl-2,3-dihydroinden-5-yl]amino]methoxy]-1,1-dicyclopropylpropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide

N-[(2S)-3-[[[(1S)-1-amino-1-methyl-2,3-dihydroinden-5-yl]amino]methoxy]-1,1-dicyclopropylpropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide (PubChem CID 177368772) has the molecular formula C27H39N5O2 and a molecular weight of 465.64 g/mol. Its IUPAC name is N-[(2S)-3-[[[(1S)-1-amino-1-methyl-2,3-dihydroinden-5-yl]amino]methoxy]-1,1-dicyclopropylpropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-[[[(1S)-1-amino-1-methyl-2,3-dihydroinden-5-yl]amino]methoxy]-1,1-dicyclopropylpropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
PubChem CID177368772
Molecular FormulaC27H39N5O2
Molecular Weight465.64 g/mol
Exact Mass465.31
IUPAC NameN-[(2S)-3-[[[(1S)-1-amino-1-methyl-2,3-dihydroinden-5-yl]amino]methoxy]-1,1-dicyclopropylpropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1nccc1C(=O)N[C@H](COCNc1ccc2c(c1)CC[C@]2(C)N)C(C1CC1)C1CC1
InChIInChI=1S/C27H39N5O2/c1-17(2)32-24(11-13-30-32)26(33)31-23(25(18-4-5-18)19-6-7-19)15-34-16-29-21-8-9-22-20(14-21)10-12-27(22,3)28/h8-9,11,13-14,17-19,23,25,29H,4-7,10,12,15-16,28H2,1-3H3,(H,31,33)/t23-,27+/m1/s1
InChIKeyBETANNKEGJBEAV-KCWPFWIISA-N
XLogP4.20
TPSA94.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.64
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[(2S)-3-[[[(1S)-1-amino-1-methyl-2,3-dihydroinden-5-yl]amino]methoxy]-1,1-dicyclopropylpropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide with MolForge

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Related Compounds

N-[(2S)-1-[[(1S)-1-amino-1-methyl-2,3-dihydroinden-5-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
CID 177368745
N-[(2S)-1,1-dicyclopropyl-3-[[1-(6-methyl-2-oxo-1H-pyridin-3-yl)-2,3-dihydro-1H-inden-5-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
CID 177368818
N-[(2S)-1,1-dicyclopropyl-3-[4-(1,4-dimethylpyrazol-5-yl)-3-hydroxyanilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
CID 154953646
N-[1,1-dicyclopropyl-3-oxo-3-[[(1R)-1-(2,2,2-trifluoroethylcarbamoyl)-3,4-dihydro-1H-isochromen-6-yl]amino]propan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
CID 177368785
N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[[(1R)-1-(3,3,3-trifluoropropanoylamino)-2,3-dihydro-1H-inden-5-yl]amino]propan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
CID 177368727
tert-butyl 5-[[(2S)-3,3-dicyclopropyl-2-[(2-propan-2-ylpyrazole-3-carbonyl)amino]propanoyl]amino]-1-(2,2,2-trifluoroethylcarbamoyl)-1,3-dihydroisoindole-2-carboxylate
CID 177368584
N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[[1-[2-(trifluoromethoxy)ethylcarbamoyl]-2,3-dihydro-1H-inden-5-yl]amino]propan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
CID 177368889
N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[[(1R)-1-(3-oxo-2,4-diazabicyclo[3.1.1]heptan-2-yl)-2,3-dihydro-1H-inden-5-yl]amino]propan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
CID 177368438
N-[(2S)-1,1-dicyclopropyl-3-[4-[5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
CID 156779226
N-[(2S)-1,1-dicyclopropyl-3-[4-[3-methyl-5-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
CID 156779287
N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[[(1R)-1-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]-2,3-dihydro-1H-inden-5-yl]amino]propan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
CID 177368906
N-[(2S)-1-[[(1R)-1-[[(2R)-2-acetamido-2,3-dimethylbutanoyl]amino]-2,3-dihydro-1H-inden-5-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
CID 177368532

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-[[[(1S)-1-amino-1-methyl-2,3-dihydroinden-5-yl]amino]methoxy]-1,1-dicyclopropylpropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-[(2S)-3-[[[(1S)-1-amino-1-methyl-2,3-dihydroinden-5-yl]amino]methoxy]-1,1-dicyclopropylpropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide (CID 177368772) is N-[(2S)-3-[[[(1S)-1-amino-1-methyl-2,3-dihydroinden-5-yl]amino]methoxy]-1,1-dicyclopropylpropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-3-[[[(1S)-1-amino-1-methyl-2,3-dihydroinden-5-yl]amino]methoxy]-1,1-dicyclopropylpropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[(2S)-3-[[[(1S)-1-amino-1-methyl-2,3-dihydroinden-5-yl]amino]methoxy]-1,1-dicyclopropylpropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide is CC(C)n1nccc1C(=O)N[C@H](COCNc1ccc2c(c1)CC[C@]2(C)N)C(C1CC1)C1CC1.
What is the InChIKey of N-[(2S)-3-[[[(1S)-1-amino-1-methyl-2,3-dihydroinden-5-yl]amino]methoxy]-1,1-dicyclopropylpropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is BETANNKEGJBEAV-KCWPFWIISA-N. The full InChI is InChI=1S/C27H39N5O2/c1-17(2)32-24(11-13-30-32)26(33)31-23(25(18-4-5-18)19-6-7-19)15-34-16-29-21-8-9-22-20(14-21)10-12-27(22,3)28/h8-9,11,13-14,17-19,23,25,29H,4-7,10,12,15-16,28H2,1-3H3,(H,31,33)/t23-,27+/m1/s1.
What are the key properties of N-[(2S)-3-[[[(1S)-1-amino-1-methyl-2,3-dihydroinden-5-yl]amino]methoxy]-1,1-dicyclopropylpropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?
N-[(2S)-3-[[[(1S)-1-amino-1-methyl-2,3-dihydroinden-5-yl]amino]methoxy]-1,1-dicyclopropylpropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 465.64 g/mol, XLogP of 4.20, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-[[[(1S)-1-amino-1-methyl-2,3-dihydroinden-5-yl]amino]methoxy]-1,1-dicyclopropylpropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 177368772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).