trans-(1R,2R)-N-[3-(1H-indazol-7-ylamino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide

C15H18N4O2 — CID 38015553

IUPACtrans-(1R,2R)-N-[3-(1H-indazol-7-ylamino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@H]1C(=O)NCCC(=O)Nc1cccc2cn[nH]c12
InChIInChI=1S/C15H18N4O2/c1-9-7-11(9)15(21)16-6-5-13(20)18-12-4-2-3-10-8-17-19-14(10)12/h2-4,8-9,11H,5-7H2,1H3,(H,16,21)(H,17,19)(H,18,20)/t9-,11-/m1/s1
InChIKeyXTUJADCNZAXHCL-MWLCHTKSSA-N
MW286.33 g/mol
LogP1.66
Rot. Bonds5

About trans-(1R,2R)-N-[3-(1H-indazol-7-ylamino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide

trans-(1R,2R)-N-[3-(1H-indazol-7-ylamino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 38015553) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is trans-(1R,2R)-N-[3-(1H-indazol-7-ylamino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[3-(1H-indazol-7-ylamino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
PubChem CID38015553
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Nametrans-(1R,2R)-N-[3-(1H-indazol-7-ylamino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@H]1C(=O)NCCC(=O)Nc1cccc2cn[nH]c12
InChIInChI=1S/C15H18N4O2/c1-9-7-11(9)15(21)16-6-5-13(20)18-12-4-2-3-10-8-17-19-14(10)12/h2-4,8-9,11H,5-7H2,1H3,(H,16,21)(H,17,19)(H,18,20)/t9-,11-/m1/s1
InChIKeyXTUJADCNZAXHCL-MWLCHTKSSA-N
XLogP1.66
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-N-[3-(1H-indazol-7-ylamino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 38015559
trans-(1S,2S)-N-(1H-indazol-7-yl)-2-methylcyclopropane-1-carboxamide
CID 34148096
N-(1H-indazol-7-yl)butanamide
CID 36575526
N-(1H-indazol-7-yl)-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46430877
4-hydroxy-N-(1H-indazol-7-yl)pentanamide
CID 79200987
2-(1H-indazol-7-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 54868364
N-(1H-indazol-7-yl)-5-methoxypentanamide
CID 86871615
trans-(1S,2S)-N-[3-[(2-methoxy-3-pyridinyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 94199881
2-(1H-indazol-7-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103978246
2-cyano-N-(1H-indazol-7-yl)acetamide
CID 110470078
4-(4-ethoxyphenoxy)-N-(1H-indazol-7-yl)butanamide
CID 34149775
trans-(1R,2R)-N-[3-(3-acetylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 39895698

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[3-(1H-indazol-7-ylamino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[3-(1H-indazol-7-ylamino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (CID 38015553) is trans-(1R,2R)-N-[3-(1H-indazol-7-ylamino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[3-(1H-indazol-7-ylamino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[3-(1H-indazol-7-ylamino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is C[C@@H]1C[C@H]1C(=O)NCCC(=O)Nc1cccc2cn[nH]c12.
What is the InChIKey of trans-(1R,2R)-N-[3-(1H-indazol-7-ylamino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is XTUJADCNZAXHCL-MWLCHTKSSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-9-7-11(9)15(21)16-6-5-13(20)18-12-4-2-3-10-8-17-19-14(10)12/h2-4,8-9,11H,5-7H2,1H3,(H,16,21)(H,17,19)(H,18,20)/t9-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-N-[3-(1H-indazol-7-ylamino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-[3-(1H-indazol-7-ylamino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.66, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[3-(1H-indazol-7-ylamino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 38015553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).