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

C20H19F4N5 — CID 163944508

IUPACN-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
SMILESF[C@H]1CNC[C@@H]1Nc1cccc(-c2cnc3ccc(C4(C(F)(F)F)CC4)cn23)n1
InChIInChI=1S/C20H19F4N5/c21-13-8-25-9-15(13)28-17-3-1-2-14(27-17)16-10-26-18-5-4-12(11-29(16)18)19(6-7-19)20(22,23)24/h1-5,10-11,13,15,25H,6-9H2,(H,27,28)/t13-,15-/m0/s1
InChIKeyRTXQWQORYQXTRG-ZFWWWQNUSA-N
MW405.40 g/mol
LogP3.71
Rot. Bonds4

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

N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine (PubChem CID 163944508) has the molecular formula C20H19F4N5 and a molecular weight of 405.40 g/mol. Its IUPAC name is N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
PubChem CID163944508
Molecular FormulaC20H19F4N5
Molecular Weight405.40 g/mol
Exact Mass405.16
IUPAC NameN-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
SMILESF[C@H]1CNC[C@@H]1Nc1cccc(-c2cnc3ccc(C4(C(F)(F)F)CC4)cn23)n1
InChIInChI=1S/C20H19F4N5/c21-13-8-25-9-15(13)28-17-3-1-2-14(27-17)16-10-26-18-5-4-12(11-29(16)18)19(6-7-19)20(22,23)24/h1-5,10-11,13,15,25H,6-9H2,(H,27,28)/t13-,15-/m0/s1
InChIKeyRTXQWQORYQXTRG-ZFWWWQNUSA-N
XLogP3.71
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.40
LogP ≤ 53.71
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-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?
The IUPAC name of N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine (CID 163944508) is N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine.
What is the SMILES notation for N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?
The canonical SMILES for N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine is F[C@H]1CNC[C@@H]1Nc1cccc(-c2cnc3ccc(C4(C(F)(F)F)CC4)cn23)n1.
What is the InChIKey of N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?
The InChIKey is RTXQWQORYQXTRG-ZFWWWQNUSA-N. The full InChI is InChI=1S/C20H19F4N5/c21-13-8-25-9-15(13)28-17-3-1-2-14(27-17)16-10-26-18-5-4-12(11-29(16)18)19(6-7-19)20(22,23)24/h1-5,10-11,13,15,25H,6-9H2,(H,27,28)/t13-,15-/m0/s1.
What are the key properties of N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?
N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine has a molecular weight of 405.40 g/mol, XLogP of 3.71, 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-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine is sourced from PubChem (CID 163944508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).