N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-[7-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine

C20H22FN5 — CID 166961543

IUPACN-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-[7-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
SMILESCC1(c2ccn3c(-c4cccc(N[C@H]5CNC[C@@H]5F)n4)cnc3c2)CC1
InChIInChI=1S/C20H22FN5/c1-20(6-7-20)13-5-8-26-17(12-23-19(26)9-13)15-3-2-4-18(24-15)25-16-11-22-10-14(16)21/h2-5,8-9,12,14,16,22H,6-7,10-11H2,1H3,(H,24,25)/t14-,16-/m0/s1
InChIKeyLVDGPLKQEUXHAV-HOCLYGCPSA-N
MW351.43 g/mol
LogP3.17
Rot. Bonds4

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

N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-[7-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine (PubChem CID 166961543) has the molecular formula C20H22FN5 and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-[7-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-[7-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
PubChem CID166961543
Molecular FormulaC20H22FN5
Molecular Weight351.43 g/mol
Exact Mass351.19
IUPAC NameN-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-[7-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
SMILESCC1(c2ccn3c(-c4cccc(N[C@H]5CNC[C@@H]5F)n4)cnc3c2)CC1
InChIInChI=1S/C20H22FN5/c1-20(6-7-20)13-5-8-26-17(12-23-19(26)9-13)15-3-2-4-18(24-15)25-16-11-22-10-14(16)21/h2-5,8-9,12,14,16,22H,6-7,10-11H2,1H3,(H,24,25)/t14-,16-/m0/s1
InChIKeyLVDGPLKQEUXHAV-HOCLYGCPSA-N
XLogP3.17
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-[7-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?
The IUPAC name of N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-[7-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine (CID 166961543) is N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-[7-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine.
What is the SMILES notation for N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-[7-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?
The canonical SMILES for N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-[7-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine is CC1(c2ccn3c(-c4cccc(N[C@H]5CNC[C@@H]5F)n4)cnc3c2)CC1.
What is the InChIKey of N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-[7-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?
The InChIKey is LVDGPLKQEUXHAV-HOCLYGCPSA-N. The full InChI is InChI=1S/C20H22FN5/c1-20(6-7-20)13-5-8-26-17(12-23-19(26)9-13)15-3-2-4-18(24-15)25-16-11-22-10-14(16)21/h2-5,8-9,12,14,16,22H,6-7,10-11H2,1H3,(H,24,25)/t14-,16-/m0/s1.
What are the key properties of N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-[7-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?
N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-[7-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine has a molecular weight of 351.43 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-[7-(1-methylcyclopropyl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine is sourced from PubChem (CID 166961543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).