2-[(2S)-2-amino-3-(1H-indol-3-yl)propyl]-5-(3-methyl-2H-indazol-5-yl)-6-(1H-pyrrol-2-yl)pyridin-3-amine

C28H27N7 — CID 91221327

IUPAC2-[(2S)-2-amino-3-(1H-indol-3-yl)propyl]-5-(3-methyl-2H-indazol-5-yl)-6-(1H-pyrrol-2-yl)pyridin-3-amine
SMILESCc1[nH]nc2ccc(-c3cc(N)c(C[C@@H](N)Cc4c[nH]c5ccccc45)nc3-c3ccc[nH]3)cc12
InChIInChI=1S/C28H27N7/c1-16-21-12-17(8-9-25(21)35-34-16)22-14-23(30)27(33-28(22)26-7-4-10-31-26)13-19(29)11-18-15-32-24-6-3-2-5-20(18)24/h2-10,12,14-15,19,31-32H,11,13,29-30H2,1H3,(H,34,35)/t19-/m0/s1
InChIKeyAGUMMDGYEWIIQX-IBGZPJMESA-N
MW461.57 g/mol
LogP5.10
Rot. Bonds6

About 2-[(2S)-2-amino-3-(1H-indol-3-yl)propyl]-5-(3-methyl-2H-indazol-5-yl)-6-(1H-pyrrol-2-yl)pyridin-3-amine

2-[(2S)-2-amino-3-(1H-indol-3-yl)propyl]-5-(3-methyl-2H-indazol-5-yl)-6-(1H-pyrrol-2-yl)pyridin-3-amine (PubChem CID 91221327) has the molecular formula C28H27N7 and a molecular weight of 461.57 g/mol. Its IUPAC name is 2-[(2S)-2-amino-3-(1H-indol-3-yl)propyl]-5-(3-methyl-2H-indazol-5-yl)-6-(1H-pyrrol-2-yl)pyridin-3-amine.

Molecular Properties

Compound Name2-[(2S)-2-amino-3-(1H-indol-3-yl)propyl]-5-(3-methyl-2H-indazol-5-yl)-6-(1H-pyrrol-2-yl)pyridin-3-amine
PubChem CID91221327
Molecular FormulaC28H27N7
Molecular Weight461.57 g/mol
Exact Mass461.23
IUPAC Name2-[(2S)-2-amino-3-(1H-indol-3-yl)propyl]-5-(3-methyl-2H-indazol-5-yl)-6-(1H-pyrrol-2-yl)pyridin-3-amine
SMILESCc1[nH]nc2ccc(-c3cc(N)c(C[C@@H](N)Cc4c[nH]c5ccccc45)nc3-c3ccc[nH]3)cc12
InChIInChI=1S/C28H27N7/c1-16-21-12-17(8-9-25(21)35-34-16)22-14-23(30)27(33-28(22)26-7-4-10-31-26)13-19(29)11-18-15-32-24-6-3-2-5-20(18)24/h2-10,12,14-15,19,31-32H,11,13,29-30H2,1H3,(H,34,35)/t19-/m0/s1
InChIKeyAGUMMDGYEWIIQX-IBGZPJMESA-N
XLogP5.10
TPSA125.19 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.57
LogP ≤ 55.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Analyze 2-[(2S)-2-amino-3-(1H-indol-3-yl)propyl]-5-(3-methyl-2H-indazol-5-yl)-6-(1H-pyrrol-2-yl)pyridin-3-amine with MolForge

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Related Compounds

(2S)-1-(1H-indol-3-yl)-3-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]propan-2-amine
CID 10172943
(2S)-1-[[6-(furan-2-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine
CID 69132706
1-(1H-indol-3-yl)butan-2-amine
CID 8367
benzenethiol;(2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)-N,N-dimethylpropan-2-amine
CID 91439970
(2S)-3-(5-fluoro-1H-indol-3-yl)-1-N-[6-(furan-3-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]propane-1,2-diamine
CID 69132210
1-N-[5-(3-methyl-2H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-naphthalen-1-ylpropane-1,2-diamine
CID 68704160
[(2S)-1-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-2-(1H-indol-3-ylmethyl)-3,3-dimethylbutan-2-yl]carbamic acid
CID 87717838
(2S)-2-amino-3-(1H-indol-3-yl)propane-1-thiol
CID 141276823
1-(1H-indol-3-yl)propan-2-amine;dihydrochloride
CID 141487070
(2R)-1-(1H-indol-3-yl)-2,4-dimethylpentan-3-amine
CID 140726561
1-(1H-indol-3-yl)-5-iodopentan-2-amine
CID 130234748
(2S)-1-[[5-(2H-benzotriazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine
CID 20744785

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-amino-3-(1H-indol-3-yl)propyl]-5-(3-methyl-2H-indazol-5-yl)-6-(1H-pyrrol-2-yl)pyridin-3-amine?
The IUPAC name of 2-[(2S)-2-amino-3-(1H-indol-3-yl)propyl]-5-(3-methyl-2H-indazol-5-yl)-6-(1H-pyrrol-2-yl)pyridin-3-amine (CID 91221327) is 2-[(2S)-2-amino-3-(1H-indol-3-yl)propyl]-5-(3-methyl-2H-indazol-5-yl)-6-(1H-pyrrol-2-yl)pyridin-3-amine.
What is the SMILES notation for 2-[(2S)-2-amino-3-(1H-indol-3-yl)propyl]-5-(3-methyl-2H-indazol-5-yl)-6-(1H-pyrrol-2-yl)pyridin-3-amine?
The canonical SMILES for 2-[(2S)-2-amino-3-(1H-indol-3-yl)propyl]-5-(3-methyl-2H-indazol-5-yl)-6-(1H-pyrrol-2-yl)pyridin-3-amine is Cc1[nH]nc2ccc(-c3cc(N)c(C[C@@H](N)Cc4c[nH]c5ccccc45)nc3-c3ccc[nH]3)cc12.
What is the InChIKey of 2-[(2S)-2-amino-3-(1H-indol-3-yl)propyl]-5-(3-methyl-2H-indazol-5-yl)-6-(1H-pyrrol-2-yl)pyridin-3-amine?
The InChIKey is AGUMMDGYEWIIQX-IBGZPJMESA-N. The full InChI is InChI=1S/C28H27N7/c1-16-21-12-17(8-9-25(21)35-34-16)22-14-23(30)27(33-28(22)26-7-4-10-31-26)13-19(29)11-18-15-32-24-6-3-2-5-20(18)24/h2-10,12,14-15,19,31-32H,11,13,29-30H2,1H3,(H,34,35)/t19-/m0/s1.
What are the key properties of 2-[(2S)-2-amino-3-(1H-indol-3-yl)propyl]-5-(3-methyl-2H-indazol-5-yl)-6-(1H-pyrrol-2-yl)pyridin-3-amine?
2-[(2S)-2-amino-3-(1H-indol-3-yl)propyl]-5-(3-methyl-2H-indazol-5-yl)-6-(1H-pyrrol-2-yl)pyridin-3-amine has a molecular weight of 461.57 g/mol, XLogP of 5.10, 6 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-amino-3-(1H-indol-3-yl)propyl]-5-(3-methyl-2H-indazol-5-yl)-6-(1H-pyrrol-2-yl)pyridin-3-amine is sourced from PubChem (CID 91221327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).