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

C20H20FN7 — CID 166961770

IUPACN-[(3S,4S)-4-fluoropiperidin-3-yl]-6-[7-(1H-imidazol-2-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
SMILESF[C@H]1CCNC[C@@H]1Nc1cccc(-c2cnc3cc(-c4ncc[nH]4)ccn23)n1
InChIInChI=1S/C20H20FN7/c21-14-4-6-22-11-16(14)27-18-3-1-2-15(26-18)17-12-25-19-10-13(5-9-28(17)19)20-23-7-8-24-20/h1-3,5,7-10,12,14,16,22H,4,6,11H2,(H,23,24)(H,26,27)/t14-,16-/m0/s1
InChIKeyGJMNFLBPIHSIRV-HOCLYGCPSA-N
MW377.43 g/mol
LogP2.90
Rot. Bonds4

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

N-[(3S,4S)-4-fluoropiperidin-3-yl]-6-[7-(1H-imidazol-2-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine (PubChem CID 166961770) has the molecular formula C20H20FN7 and a molecular weight of 377.43 g/mol. Its IUPAC name is N-[(3S,4S)-4-fluoropiperidin-3-yl]-6-[7-(1H-imidazol-2-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(3S,4S)-4-fluoropiperidin-3-yl]-6-[7-(1H-imidazol-2-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
PubChem CID166961770
Molecular FormulaC20H20FN7
Molecular Weight377.43 g/mol
Exact Mass377.18
IUPAC NameN-[(3S,4S)-4-fluoropiperidin-3-yl]-6-[7-(1H-imidazol-2-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
SMILESF[C@H]1CCNC[C@@H]1Nc1cccc(-c2cnc3cc(-c4ncc[nH]4)ccn23)n1
InChIInChI=1S/C20H20FN7/c21-14-4-6-22-11-16(14)27-18-3-1-2-15(26-18)17-12-25-19-10-13(5-9-28(17)19)20-23-7-8-24-20/h1-3,5,7-10,12,14,16,22H,4,6,11H2,(H,23,24)(H,26,27)/t14-,16-/m0/s1
InChIKeyGJMNFLBPIHSIRV-HOCLYGCPSA-N
XLogP2.90
TPSA82.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-fluoropiperidin-3-yl]-6-[7-(1H-imidazol-2-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?
The IUPAC name of N-[(3S,4S)-4-fluoropiperidin-3-yl]-6-[7-(1H-imidazol-2-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine (CID 166961770) is N-[(3S,4S)-4-fluoropiperidin-3-yl]-6-[7-(1H-imidazol-2-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine.
What is the SMILES notation for N-[(3S,4S)-4-fluoropiperidin-3-yl]-6-[7-(1H-imidazol-2-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?
The canonical SMILES for N-[(3S,4S)-4-fluoropiperidin-3-yl]-6-[7-(1H-imidazol-2-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine is F[C@H]1CCNC[C@@H]1Nc1cccc(-c2cnc3cc(-c4ncc[nH]4)ccn23)n1.
What is the InChIKey of N-[(3S,4S)-4-fluoropiperidin-3-yl]-6-[7-(1H-imidazol-2-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?
The InChIKey is GJMNFLBPIHSIRV-HOCLYGCPSA-N. The full InChI is InChI=1S/C20H20FN7/c21-14-4-6-22-11-16(14)27-18-3-1-2-15(26-18)17-12-25-19-10-13(5-9-28(17)19)20-23-7-8-24-20/h1-3,5,7-10,12,14,16,22H,4,6,11H2,(H,23,24)(H,26,27)/t14-,16-/m0/s1.
What are the key properties of N-[(3S,4S)-4-fluoropiperidin-3-yl]-6-[7-(1H-imidazol-2-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?
N-[(3S,4S)-4-fluoropiperidin-3-yl]-6-[7-(1H-imidazol-2-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine has a molecular weight of 377.43 g/mol, XLogP of 2.90, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-fluoropiperidin-3-yl]-6-[7-(1H-imidazol-2-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine is sourced from PubChem (CID 166961770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).