N-(1H-indazol-3-yl)-1,3-dimethylpyrrolo[2,3-b]pyridin-5-amine

C16H15N5 — CID 134192218

IUPACN-(1H-indazol-3-yl)-1,3-dimethylpyrrolo[2,3-b]pyridin-5-amine
SMILESCc1cn(C)c2ncc(Nc3n[nH]c4ccccc34)cc12
InChIInChI=1S/C16H15N5/c1-10-9-21(2)16-13(10)7-11(8-17-16)18-15-12-5-3-4-6-14(12)19-20-15/h3-9H,1-2H3,(H2,18,19,20)
InChIKeyHNQXRNFQZJNHEN-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.50
Rot. Bonds2

About N-(1H-indazol-3-yl)-1,3-dimethylpyrrolo[2,3-b]pyridin-5-amine

N-(1H-indazol-3-yl)-1,3-dimethylpyrrolo[2,3-b]pyridin-5-amine (PubChem CID 134192218) has the molecular formula C16H15N5 and a molecular weight of 277.33 g/mol. Its IUPAC name is N-(1H-indazol-3-yl)-1,3-dimethylpyrrolo[2,3-b]pyridin-5-amine.

Molecular Properties

Compound NameN-(1H-indazol-3-yl)-1,3-dimethylpyrrolo[2,3-b]pyridin-5-amine
PubChem CID134192218
Molecular FormulaC16H15N5
Molecular Weight277.33 g/mol
Exact Mass277.13
IUPAC NameN-(1H-indazol-3-yl)-1,3-dimethylpyrrolo[2,3-b]pyridin-5-amine
SMILESCc1cn(C)c2ncc(Nc3n[nH]c4ccccc34)cc12
InChIInChI=1S/C16H15N5/c1-10-9-21(2)16-13(10)7-11(8-17-16)18-15-12-5-3-4-6-14(12)19-20-15/h3-9H,1-2H3,(H2,18,19,20)
InChIKeyHNQXRNFQZJNHEN-UHFFFAOYSA-N
XLogP3.50
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-3-yl)-1,3-dimethylpyrrolo[2,3-b]pyridin-5-amine?
The IUPAC name of N-(1H-indazol-3-yl)-1,3-dimethylpyrrolo[2,3-b]pyridin-5-amine (CID 134192218) is N-(1H-indazol-3-yl)-1,3-dimethylpyrrolo[2,3-b]pyridin-5-amine.
What is the SMILES notation for N-(1H-indazol-3-yl)-1,3-dimethylpyrrolo[2,3-b]pyridin-5-amine?
The canonical SMILES for N-(1H-indazol-3-yl)-1,3-dimethylpyrrolo[2,3-b]pyridin-5-amine is Cc1cn(C)c2ncc(Nc3n[nH]c4ccccc34)cc12.
What is the InChIKey of N-(1H-indazol-3-yl)-1,3-dimethylpyrrolo[2,3-b]pyridin-5-amine?
The InChIKey is HNQXRNFQZJNHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5/c1-10-9-21(2)16-13(10)7-11(8-17-16)18-15-12-5-3-4-6-14(12)19-20-15/h3-9H,1-2H3,(H2,18,19,20).
What are the key properties of N-(1H-indazol-3-yl)-1,3-dimethylpyrrolo[2,3-b]pyridin-5-amine?
N-(1H-indazol-3-yl)-1,3-dimethylpyrrolo[2,3-b]pyridin-5-amine has a molecular weight of 277.33 g/mol, XLogP of 3.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-3-yl)-1,3-dimethylpyrrolo[2,3-b]pyridin-5-amine is sourced from PubChem (CID 134192218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).