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

C21H21F4N5 — CID 166961623

IUPACN-[(3S,4S)-4-fluoropiperidin-3-yl]-6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
SMILESF[C@H]1CCNC[C@@H]1Nc1cccc(-c2cnc3ccc(C4(C(F)(F)F)CC4)cn23)n1
InChIInChI=1S/C21H21F4N5/c22-14-6-9-26-10-16(14)29-18-3-1-2-15(28-18)17-11-27-19-5-4-13(12-30(17)19)20(7-8-20)21(23,24)25/h1-5,11-12,14,16,26H,6-10H2,(H,28,29)/t14-,16-/m0/s1
InChIKeyCZYCPCNQYXFAPQ-HOCLYGCPSA-N
MW419.43 g/mol
LogP4.10
Rot. Bonds4

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

N-[(3S,4S)-4-fluoropiperidin-3-yl]-6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine (PubChem CID 166961623) has the molecular formula C21H21F4N5 and a molecular weight of 419.43 g/mol. Its IUPAC name is N-[(3S,4S)-4-fluoropiperidin-3-yl]-6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(3S,4S)-4-fluoropiperidin-3-yl]-6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
PubChem CID166961623
Molecular FormulaC21H21F4N5
Molecular Weight419.43 g/mol
Exact Mass419.17
IUPAC NameN-[(3S,4S)-4-fluoropiperidin-3-yl]-6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
SMILESF[C@H]1CCNC[C@@H]1Nc1cccc(-c2cnc3ccc(C4(C(F)(F)F)CC4)cn23)n1
InChIInChI=1S/C21H21F4N5/c22-14-6-9-26-10-16(14)29-18-3-1-2-15(28-18)17-11-27-19-5-4-13(12-30(17)19)20(7-8-20)21(23,24)25/h1-5,11-12,14,16,26H,6-10H2,(H,28,29)/t14-,16-/m0/s1
InChIKeyCZYCPCNQYXFAPQ-HOCLYGCPSA-N
XLogP4.10
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 54.10
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-fluoropiperidin-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-fluoropiperidin-3-yl]-6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine (CID 166961623) is N-[(3S,4S)-4-fluoropiperidin-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-fluoropiperidin-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-fluoropiperidin-3-yl]-6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine is F[C@H]1CCNC[C@@H]1Nc1cccc(-c2cnc3ccc(C4(C(F)(F)F)CC4)cn23)n1.
What is the InChIKey of N-[(3S,4S)-4-fluoropiperidin-3-yl]-6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?
The InChIKey is CZYCPCNQYXFAPQ-HOCLYGCPSA-N. The full InChI is InChI=1S/C21H21F4N5/c22-14-6-9-26-10-16(14)29-18-3-1-2-15(28-18)17-11-27-19-5-4-13(12-30(17)19)20(7-8-20)21(23,24)25/h1-5,11-12,14,16,26H,6-10H2,(H,28,29)/t14-,16-/m0/s1.
What are the key properties of N-[(3S,4S)-4-fluoropiperidin-3-yl]-6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?
N-[(3S,4S)-4-fluoropiperidin-3-yl]-6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine has a molecular weight of 419.43 g/mol, XLogP of 4.10, 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-fluoropiperidin-3-yl]-6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine is sourced from PubChem (CID 166961623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).