(2S)-1-N-[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]-3-phenylpropane-1,2-diamine

C22H23N5 — CID 23647013

IUPAC(2S)-1-N-[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]-3-phenylpropane-1,2-diamine
SMILESCc1[nH]nc2ccc(-c3cncc(NC[C@@H](N)Cc4ccccc4)c3)cc12
InChIInChI=1S/C22H23N5/c1-15-21-11-17(7-8-22(21)27-26-15)18-10-20(14-24-12-18)25-13-19(23)9-16-5-3-2-4-6-16/h2-8,10-12,14,19,25H,9,13,23H2,1H3,(H,26,27)/t19-/m0/s1
InChIKeyAIGXEZVGFUERRR-IBGZPJMESA-N
MW357.46 g/mol
LogP3.92
Rot. Bonds6

About (2S)-1-N-[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]-3-phenylpropane-1,2-diamine

(2S)-1-N-[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]-3-phenylpropane-1,2-diamine (PubChem CID 23647013) has the molecular formula C22H23N5 and a molecular weight of 357.46 g/mol. Its IUPAC name is (2S)-1-N-[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]-3-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name(2S)-1-N-[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]-3-phenylpropane-1,2-diamine
PubChem CID23647013
Molecular FormulaC22H23N5
Molecular Weight357.46 g/mol
Exact Mass357.20
IUPAC Name(2S)-1-N-[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]-3-phenylpropane-1,2-diamine
SMILESCc1[nH]nc2ccc(-c3cncc(NC[C@@H](N)Cc4ccccc4)c3)cc12
InChIInChI=1S/C22H23N5/c1-15-21-11-17(7-8-22(21)27-26-15)18-10-20(14-24-12-18)25-13-19(23)9-16-5-3-2-4-6-16/h2-8,10-12,14,19,25H,9,13,23H2,1H3,(H,26,27)/t19-/m0/s1
InChIKeyAIGXEZVGFUERRR-IBGZPJMESA-N
XLogP3.92
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]-3-phenylpropane-1,2-diamine?
The IUPAC name of (2S)-1-N-[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]-3-phenylpropane-1,2-diamine (CID 23647013) is (2S)-1-N-[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]-3-phenylpropane-1,2-diamine.
What is the SMILES notation for (2S)-1-N-[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]-3-phenylpropane-1,2-diamine?
The canonical SMILES for (2S)-1-N-[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]-3-phenylpropane-1,2-diamine is Cc1[nH]nc2ccc(-c3cncc(NC[C@@H](N)Cc4ccccc4)c3)cc12.
What is the InChIKey of (2S)-1-N-[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]-3-phenylpropane-1,2-diamine?
The InChIKey is AIGXEZVGFUERRR-IBGZPJMESA-N. The full InChI is InChI=1S/C22H23N5/c1-15-21-11-17(7-8-22(21)27-26-15)18-10-20(14-24-12-18)25-13-19(23)9-16-5-3-2-4-6-16/h2-8,10-12,14,19,25H,9,13,23H2,1H3,(H,26,27)/t19-/m0/s1.
What are the key properties of (2S)-1-N-[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]-3-phenylpropane-1,2-diamine?
(2S)-1-N-[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]-3-phenylpropane-1,2-diamine has a molecular weight of 357.46 g/mol, XLogP of 3.92, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]-3-phenylpropane-1,2-diamine is sourced from PubChem (CID 23647013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).