(1S)-1-[2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl]-2-pyridin-2-ylethanamine

C20H19N5 — CID 164915862

IUPAC(1S)-1-[2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl]-2-pyridin-2-ylethanamine
SMILESCn1nc(-c2ccccc2[C@@H](N)Cc2ccccn2)c2cccnc21
InChIInChI=1S/C20H19N5/c1-25-20-17(10-6-12-23-20)19(24-25)16-9-3-2-8-15(16)18(21)13-14-7-4-5-11-22-14/h2-12,18H,13,21H2,1H3/t18-/m0/s1
InChIKeyYPAWRMANIANUKY-SFHVURJKSA-N
MW329.41 g/mol
LogP3.27
Rot. Bonds4

About (1S)-1-[2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl]-2-pyridin-2-ylethanamine

(1S)-1-[2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl]-2-pyridin-2-ylethanamine (PubChem CID 164915862) has the molecular formula C20H19N5 and a molecular weight of 329.41 g/mol. Its IUPAC name is (1S)-1-[2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl]-2-pyridin-2-ylethanamine.

Molecular Properties

Compound Name(1S)-1-[2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl]-2-pyridin-2-ylethanamine
PubChem CID164915862
Molecular FormulaC20H19N5
Molecular Weight329.41 g/mol
Exact Mass329.16
IUPAC Name(1S)-1-[2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl]-2-pyridin-2-ylethanamine
SMILESCn1nc(-c2ccccc2[C@@H](N)Cc2ccccn2)c2cccnc21
InChIInChI=1S/C20H19N5/c1-25-20-17(10-6-12-23-20)19(24-25)16-9-3-2-8-15(16)18(21)13-14-7-4-5-11-22-14/h2-12,18H,13,21H2,1H3/t18-/m0/s1
InChIKeyYPAWRMANIANUKY-SFHVURJKSA-N
XLogP3.27
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(1-methylindazol-3-yl)phenyl]-2-pyridin-2-ylethanamine;hydrochloride
CID 174205179
(1S)-1-[2-(1-propan-2-ylindazol-3-yl)phenyl]-2-pyridin-2-ylethanamine
CID 164915522
(1S)-1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-pyridin-2-ylethanamine
CID 164915454
2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)benzaldehyde
CID 164915849
1-(2-methoxyphenyl)-2-pyridin-2-ylethanamine
CID 43118872
1-[2-(1,2-benzoxazol-3-yl)-5-methylphenyl]-2-pyridin-2-ylethanamine;hydrochloride
CID 174203870
(1S)-1-[3-(1,2-benzoxazol-3-yl)-4-pyridinyl]-2-pyridin-2-ylethanamine
CID 164915887
(1S)-1-[2-(1,2-benzoxazol-3-yl)-4-bromophenyl]-2-pyridin-2-ylethanamine;hydrochloride
CID 164915731
(2S)-1-pyridin-2-ylpropan-2-amine
CID 42037572
2-pyridin-2-yl-1-(2,4,5-trimethoxyphenyl)ethanamine
CID 43121506
1-[2-(1,2-benzoxazol-3-yl)-6-methylphenyl]-2-pyridin-2-ylethanamine
CID 174202789
1-(3-ethyl-2-pyridinyl)-2-pyridin-2-ylethanamine
CID 82729615

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl]-2-pyridin-2-ylethanamine?
The IUPAC name of (1S)-1-[2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl]-2-pyridin-2-ylethanamine (CID 164915862) is (1S)-1-[2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl]-2-pyridin-2-ylethanamine.
What is the SMILES notation for (1S)-1-[2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl]-2-pyridin-2-ylethanamine?
The canonical SMILES for (1S)-1-[2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl]-2-pyridin-2-ylethanamine is Cn1nc(-c2ccccc2[C@@H](N)Cc2ccccn2)c2cccnc21.
What is the InChIKey of (1S)-1-[2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl]-2-pyridin-2-ylethanamine?
The InChIKey is YPAWRMANIANUKY-SFHVURJKSA-N. The full InChI is InChI=1S/C20H19N5/c1-25-20-17(10-6-12-23-20)19(24-25)16-9-3-2-8-15(16)18(21)13-14-7-4-5-11-22-14/h2-12,18H,13,21H2,1H3/t18-/m0/s1.
What are the key properties of (1S)-1-[2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl]-2-pyridin-2-ylethanamine?
(1S)-1-[2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl]-2-pyridin-2-ylethanamine has a molecular weight of 329.41 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl]-2-pyridin-2-ylethanamine is sourced from PubChem (CID 164915862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).