(2S)-2-[(2-aminoacetyl)-methylamino]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pentanamide

C15H25N5O2 — CID 142095859

IUPAC(2S)-2-[(2-aminoacetyl)-methylamino]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pentanamide
SMILESCCC[C@@H](C(=O)NC1CCc2[nH]ncc2C1)N(C)C(=O)CN
InChIInChI=1S/C15H25N5O2/c1-3-4-13(20(2)14(21)8-16)15(22)18-11-5-6-12-10(7-11)9-17-19-12/h9,11,13H,3-8,16H2,1-2H3,(H,17,19)(H,18,22)/t11?,13-/m0/s1
InChIKeyZUMVGIPAYZJQKX-YUZLPWPTSA-N
MW307.40 g/mol
LogP-0.03
Rot. Bonds6

About (2S)-2-[(2-aminoacetyl)-methylamino]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pentanamide

(2S)-2-[(2-aminoacetyl)-methylamino]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pentanamide (PubChem CID 142095859) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is (2S)-2-[(2-aminoacetyl)-methylamino]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pentanamide.

Molecular Properties

Compound Name(2S)-2-[(2-aminoacetyl)-methylamino]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pentanamide
PubChem CID142095859
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name(2S)-2-[(2-aminoacetyl)-methylamino]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pentanamide
SMILESCCC[C@@H](C(=O)NC1CCc2[nH]ncc2C1)N(C)C(=O)CN
InChIInChI=1S/C15H25N5O2/c1-3-4-13(20(2)14(21)8-16)15(22)18-11-5-6-12-10(7-11)9-17-19-12/h9,11,13H,3-8,16H2,1-2H3,(H,17,19)(H,18,22)/t11?,13-/m0/s1
InChIKeyZUMVGIPAYZJQKX-YUZLPWPTSA-N
XLogP-0.03
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
CID 136515618
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CID 97100646
3-methyl-1-propyl-N-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]pyrazole-4-carboxamide
CID 97147352
ethyl (5S)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
CID 86330706
1-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
CID 126783388
N'-(2-phenylsulfanylphenyl)-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]oxamide
CID 99718936
N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxamide
CID 154859068
1-(2-amino-2-oxoethyl)-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]piperidine-4-carboxamide
CID 97119621
1-(2-methoxy-5-methyl-3-pyridinyl)-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
CID 97327551
N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)acetamide
CID 20546780
1-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
CID 124738907
1-[(2-cyclobutyloxyphenyl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-aminoacetyl)-methylamino]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pentanamide?
The IUPAC name of (2S)-2-[(2-aminoacetyl)-methylamino]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pentanamide (CID 142095859) is (2S)-2-[(2-aminoacetyl)-methylamino]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pentanamide.
What is the SMILES notation for (2S)-2-[(2-aminoacetyl)-methylamino]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pentanamide?
The canonical SMILES for (2S)-2-[(2-aminoacetyl)-methylamino]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pentanamide is CCC[C@@H](C(=O)NC1CCc2[nH]ncc2C1)N(C)C(=O)CN.
What is the InChIKey of (2S)-2-[(2-aminoacetyl)-methylamino]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pentanamide?
The InChIKey is ZUMVGIPAYZJQKX-YUZLPWPTSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-3-4-13(20(2)14(21)8-16)15(22)18-11-5-6-12-10(7-11)9-17-19-12/h9,11,13H,3-8,16H2,1-2H3,(H,17,19)(H,18,22)/t11?,13-/m0/s1.
What are the key properties of (2S)-2-[(2-aminoacetyl)-methylamino]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pentanamide?
(2S)-2-[(2-aminoacetyl)-methylamino]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pentanamide has a molecular weight of 307.40 g/mol, XLogP of -0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-aminoacetyl)-methylamino]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pentanamide is sourced from PubChem (CID 142095859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).