N-[(3S,4S)-3-fluoropiperidin-4-yl]-6-[7-methoxy-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine

C22H24FN7O — CID 163818545

IUPACN-[(3S,4S)-3-fluoropiperidin-4-yl]-6-[7-methoxy-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
SMILESCOc1cc2ncc(-c3cccc(N[C@H]4CCNC[C@@H]4F)n3)n2cc1-c1cnn(C)c1
InChIInChI=1S/C22H24FN7O/c1-29-12-14(9-26-29)15-13-30-19(11-25-22(30)8-20(15)31-2)18-4-3-5-21(28-18)27-17-6-7-24-10-16(17)23/h3-5,8-9,11-13,16-17,24H,6-7,10H2,1-2H3,(H,27,28)/t16-,17-/m0/s1
InChIKeyNTKWIHLGLPIAOG-IRXDYDNUSA-N
MW421.48 g/mol
LogP2.92
Rot. Bonds5

About N-[(3S,4S)-3-fluoropiperidin-4-yl]-6-[7-methoxy-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine

N-[(3S,4S)-3-fluoropiperidin-4-yl]-6-[7-methoxy-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine (PubChem CID 163818545) has the molecular formula C22H24FN7O and a molecular weight of 421.48 g/mol. Its IUPAC name is N-[(3S,4S)-3-fluoropiperidin-4-yl]-6-[7-methoxy-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(3S,4S)-3-fluoropiperidin-4-yl]-6-[7-methoxy-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
PubChem CID163818545
Molecular FormulaC22H24FN7O
Molecular Weight421.48 g/mol
Exact Mass421.20
IUPAC NameN-[(3S,4S)-3-fluoropiperidin-4-yl]-6-[7-methoxy-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
SMILESCOc1cc2ncc(-c3cccc(N[C@H]4CCNC[C@@H]4F)n3)n2cc1-c1cnn(C)c1
InChIInChI=1S/C22H24FN7O/c1-29-12-14(9-26-29)15-13-30-19(11-25-22(30)8-20(15)31-2)18-4-3-5-21(28-18)27-17-6-7-24-10-16(17)23/h3-5,8-9,11-13,16-17,24H,6-7,10H2,1-2H3,(H,27,28)/t16-,17-/m0/s1
InChIKeyNTKWIHLGLPIAOG-IRXDYDNUSA-N
XLogP2.92
TPSA81.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(3S,4S)-3-fluoropiperidin-4-yl]-6-[7-methoxy-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-3-fluoropiperidin-4-yl]-6-[7-methoxy-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?
The IUPAC name of N-[(3S,4S)-3-fluoropiperidin-4-yl]-6-[7-methoxy-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine (CID 163818545) is N-[(3S,4S)-3-fluoropiperidin-4-yl]-6-[7-methoxy-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine.
What is the SMILES notation for N-[(3S,4S)-3-fluoropiperidin-4-yl]-6-[7-methoxy-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?
The canonical SMILES for N-[(3S,4S)-3-fluoropiperidin-4-yl]-6-[7-methoxy-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine is COc1cc2ncc(-c3cccc(N[C@H]4CCNC[C@@H]4F)n3)n2cc1-c1cnn(C)c1.
What is the InChIKey of N-[(3S,4S)-3-fluoropiperidin-4-yl]-6-[7-methoxy-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?
The InChIKey is NTKWIHLGLPIAOG-IRXDYDNUSA-N. The full InChI is InChI=1S/C22H24FN7O/c1-29-12-14(9-26-29)15-13-30-19(11-25-22(30)8-20(15)31-2)18-4-3-5-21(28-18)27-17-6-7-24-10-16(17)23/h3-5,8-9,11-13,16-17,24H,6-7,10H2,1-2H3,(H,27,28)/t16-,17-/m0/s1.
What are the key properties of N-[(3S,4S)-3-fluoropiperidin-4-yl]-6-[7-methoxy-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?
N-[(3S,4S)-3-fluoropiperidin-4-yl]-6-[7-methoxy-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine has a molecular weight of 421.48 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-3-fluoropiperidin-4-yl]-6-[7-methoxy-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine is sourced from PubChem (CID 163818545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).