2-[(3R)-1-[(2-fluoro-4-pyridinyl)methyl]piperidin-3-yl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide

C21H24FN5O — CID 172890448

IUPAC2-[(3R)-1-[(2-fluoro-4-pyridinyl)methyl]piperidin-3-yl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide
SMILESO=C(C[C@H]1CCCN(Cc2ccnc(F)c2)C1)NCc1cn2ccccc2n1
InChIInChI=1S/C21H24FN5O/c22-19-10-17(6-7-23-19)14-26-8-3-4-16(13-26)11-21(28)24-12-18-15-27-9-2-1-5-20(27)25-18/h1-2,5-7,9-10,15-16H,3-4,8,11-14H2,(H,24,28)/t16-/m1/s1
InChIKeyMDTQBKQEONYMIW-MRXNPFEDSA-N
MW381.46 g/mol
LogP2.79
Rot. Bonds6

About 2-[(3R)-1-[(2-fluoro-4-pyridinyl)methyl]piperidin-3-yl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide

2-[(3R)-1-[(2-fluoro-4-pyridinyl)methyl]piperidin-3-yl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide (PubChem CID 172890448) has the molecular formula C21H24FN5O and a molecular weight of 381.46 g/mol. Its IUPAC name is 2-[(3R)-1-[(2-fluoro-4-pyridinyl)methyl]piperidin-3-yl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3R)-1-[(2-fluoro-4-pyridinyl)methyl]piperidin-3-yl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide
PubChem CID172890448
Molecular FormulaC21H24FN5O
Molecular Weight381.46 g/mol
Exact Mass381.20
IUPAC Name2-[(3R)-1-[(2-fluoro-4-pyridinyl)methyl]piperidin-3-yl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide
SMILESO=C(C[C@H]1CCCN(Cc2ccnc(F)c2)C1)NCc1cn2ccccc2n1
InChIInChI=1S/C21H24FN5O/c22-19-10-17(6-7-23-19)14-26-8-3-4-16(13-26)11-21(28)24-12-18-15-27-9-2-1-5-20(27)25-18/h1-2,5-7,9-10,15-16H,3-4,8,11-14H2,(H,24,28)/t16-/m1/s1
InChIKeyMDTQBKQEONYMIW-MRXNPFEDSA-N
XLogP2.79
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[(3S)-1-benzylpyrrolidin-3-yl]-3-(imidazo[1,2-a]pyridin-2-ylmethyl)urea
CID 94028303
2-cyclopentyl-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]acetamide
CID 95176142
2-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 94920556
1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-3-carboxylic acid
CID 43385952
(3S)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-3-amine
CID 129366305
1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidin-3-ol
CID 62918360
2-cyclohexyl-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)acetamide
CID 90569469
2-(2,4-difluoro-N-formylanilino)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide
CID 166694179
3-imidazo[1,2-a]pyridin-2-yl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide
CID 56716306
methyl 3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzoate
CID 134011276
[1-[[2-(aminomethyl)-4-pyridinyl]methyl]piperidin-3-yl]methanol
CID 63887461
2-[(3R)-1-benzylpiperidin-3-yl]acetic acid
CID 86313785

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-[(2-fluoro-4-pyridinyl)methyl]piperidin-3-yl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[(3R)-1-[(2-fluoro-4-pyridinyl)methyl]piperidin-3-yl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide (CID 172890448) is 2-[(3R)-1-[(2-fluoro-4-pyridinyl)methyl]piperidin-3-yl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(3R)-1-[(2-fluoro-4-pyridinyl)methyl]piperidin-3-yl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(3R)-1-[(2-fluoro-4-pyridinyl)methyl]piperidin-3-yl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide is O=C(C[C@H]1CCCN(Cc2ccnc(F)c2)C1)NCc1cn2ccccc2n1.
What is the InChIKey of 2-[(3R)-1-[(2-fluoro-4-pyridinyl)methyl]piperidin-3-yl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide?
The InChIKey is MDTQBKQEONYMIW-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24FN5O/c22-19-10-17(6-7-23-19)14-26-8-3-4-16(13-26)11-21(28)24-12-18-15-27-9-2-1-5-20(27)25-18/h1-2,5-7,9-10,15-16H,3-4,8,11-14H2,(H,24,28)/t16-/m1/s1.
What are the key properties of 2-[(3R)-1-[(2-fluoro-4-pyridinyl)methyl]piperidin-3-yl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide?
2-[(3R)-1-[(2-fluoro-4-pyridinyl)methyl]piperidin-3-yl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide has a molecular weight of 381.46 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-[(2-fluoro-4-pyridinyl)methyl]piperidin-3-yl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 172890448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).