(1S)-1-[1-methyl-6-(2-methylpyrazol-3-yl)pyrrolo[3,2-b]pyridin-5-yl]ethanamine

C14H17N5 — CID 86707969

IUPAC(1S)-1-[1-methyl-6-(2-methylpyrazol-3-yl)pyrrolo[3,2-b]pyridin-5-yl]ethanamine
SMILESC[C@H](N)c1nc2ccn(C)c2cc1-c1ccnn1C
InChIInChI=1S/C14H17N5/c1-9(15)14-10(12-4-6-16-19(12)3)8-13-11(17-14)5-7-18(13)2/h4-9H,15H2,1-3H3/t9-/m0/s1
InChIKeyBCZKIQNRAWMHNB-VIFPVBQESA-N
MW255.32 g/mol
LogP1.99
Rot. Bonds2

About (1S)-1-[1-methyl-6-(2-methylpyrazol-3-yl)pyrrolo[3,2-b]pyridin-5-yl]ethanamine

(1S)-1-[1-methyl-6-(2-methylpyrazol-3-yl)pyrrolo[3,2-b]pyridin-5-yl]ethanamine (PubChem CID 86707969) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is (1S)-1-[1-methyl-6-(2-methylpyrazol-3-yl)pyrrolo[3,2-b]pyridin-5-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[1-methyl-6-(2-methylpyrazol-3-yl)pyrrolo[3,2-b]pyridin-5-yl]ethanamine
PubChem CID86707969
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name(1S)-1-[1-methyl-6-(2-methylpyrazol-3-yl)pyrrolo[3,2-b]pyridin-5-yl]ethanamine
SMILESC[C@H](N)c1nc2ccn(C)c2cc1-c1ccnn1C
InChIInChI=1S/C14H17N5/c1-9(15)14-10(12-4-6-16-19(12)3)8-13-11(17-14)5-7-18(13)2/h4-9H,15H2,1-3H3/t9-/m0/s1
InChIKeyBCZKIQNRAWMHNB-VIFPVBQESA-N
XLogP1.99
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-methyl-6-(2-methylpyrazol-3-yl)pyrrolo[3,2-b]pyridin-5-yl]ethanamine?
The IUPAC name of (1S)-1-[1-methyl-6-(2-methylpyrazol-3-yl)pyrrolo[3,2-b]pyridin-5-yl]ethanamine (CID 86707969) is (1S)-1-[1-methyl-6-(2-methylpyrazol-3-yl)pyrrolo[3,2-b]pyridin-5-yl]ethanamine.
What is the SMILES notation for (1S)-1-[1-methyl-6-(2-methylpyrazol-3-yl)pyrrolo[3,2-b]pyridin-5-yl]ethanamine?
The canonical SMILES for (1S)-1-[1-methyl-6-(2-methylpyrazol-3-yl)pyrrolo[3,2-b]pyridin-5-yl]ethanamine is C[C@H](N)c1nc2ccn(C)c2cc1-c1ccnn1C.
What is the InChIKey of (1S)-1-[1-methyl-6-(2-methylpyrazol-3-yl)pyrrolo[3,2-b]pyridin-5-yl]ethanamine?
The InChIKey is BCZKIQNRAWMHNB-VIFPVBQESA-N. The full InChI is InChI=1S/C14H17N5/c1-9(15)14-10(12-4-6-16-19(12)3)8-13-11(17-14)5-7-18(13)2/h4-9H,15H2,1-3H3/t9-/m0/s1.
What are the key properties of (1S)-1-[1-methyl-6-(2-methylpyrazol-3-yl)pyrrolo[3,2-b]pyridin-5-yl]ethanamine?
(1S)-1-[1-methyl-6-(2-methylpyrazol-3-yl)pyrrolo[3,2-b]pyridin-5-yl]ethanamine has a molecular weight of 255.32 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-methyl-6-(2-methylpyrazol-3-yl)pyrrolo[3,2-b]pyridin-5-yl]ethanamine is sourced from PubChem (CID 86707969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).