(2S)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide

C17H25N5O — CID 95765955

IUPAC(2S)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1cn2c(n1)CC[C@H](NC(=O)[C@@H](C)c1c(C)nn(C)c1C)C2
InChIInChI=1S/C17H25N5O/c1-10-8-22-9-14(6-7-15(22)18-10)19-17(23)11(2)16-12(3)20-21(5)13(16)4/h8,11,14H,6-7,9H2,1-5H3,(H,19,23)/t11-,14-/m0/s1
InChIKeyZMPDUAFGAVGGQT-FZMZJTMJSA-N
MW315.42 g/mol
LogP1.78
Rot. Bonds3

About (2S)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide

(2S)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 95765955) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is (2S)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID95765955
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name(2S)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1cn2c(n1)CC[C@H](NC(=O)[C@@H](C)c1c(C)nn(C)c1C)C2
InChIInChI=1S/C17H25N5O/c1-10-8-22-9-14(6-7-15(22)18-10)19-17(23)11(2)16-12(3)20-21(5)13(16)4/h8,11,14H,6-7,9H2,1-5H3,(H,19,23)/t11-,14-/m0/s1
InChIKeyZMPDUAFGAVGGQT-FZMZJTMJSA-N
XLogP1.78
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of (2S)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 95765955) is (2S)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for (2S)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for (2S)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1cn2c(n1)CC[C@H](NC(=O)[C@@H](C)c1c(C)nn(C)c1C)C2.
What is the InChIKey of (2S)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is ZMPDUAFGAVGGQT-FZMZJTMJSA-N. The full InChI is InChI=1S/C17H25N5O/c1-10-8-22-9-14(6-7-15(22)18-10)19-17(23)11(2)16-12(3)20-21(5)13(16)4/h8,11,14H,6-7,9H2,1-5H3,(H,19,23)/t11-,14-/m0/s1.
What are the key properties of (2S)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
(2S)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 315.42 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 95765955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).