3-(6-tert-butylimidazo[1,2-a]pyrazin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine

C19H23FN6 — CID 175957967

IUPAC3-(6-tert-butylimidazo[1,2-a]pyrazin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine
SMILESCC(C)(C)c1cn2c(-c3cccnc3N[C@H]3CNC[C@@H]3F)cnc2cn1
InChIInChI=1S/C19H23FN6/c1-19(2,3)16-11-26-15(9-24-17(26)10-23-16)12-5-4-6-22-18(12)25-14-8-21-7-13(14)20/h4-6,9-11,13-14,21H,7-8H2,1-3H3,(H,22,25)/t13-,14-/m0/s1
InChIKeySKQQGWDKWWFBGA-KBPBESRZSA-N
MW354.43 g/mol
LogP2.81
Rot. Bonds3

About 3-(6-tert-butylimidazo[1,2-a]pyrazin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine

3-(6-tert-butylimidazo[1,2-a]pyrazin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine (PubChem CID 175957967) has the molecular formula C19H23FN6 and a molecular weight of 354.43 g/mol. Its IUPAC name is 3-(6-tert-butylimidazo[1,2-a]pyrazin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-(6-tert-butylimidazo[1,2-a]pyrazin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine
PubChem CID175957967
Molecular FormulaC19H23FN6
Molecular Weight354.43 g/mol
Exact Mass354.20
IUPAC Name3-(6-tert-butylimidazo[1,2-a]pyrazin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine
SMILESCC(C)(C)c1cn2c(-c3cccnc3N[C@H]3CNC[C@@H]3F)cnc2cn1
InChIInChI=1S/C19H23FN6/c1-19(2,3)16-11-26-15(9-24-17(26)10-23-16)12-5-4-6-22-18(12)25-14-8-21-7-13(14)20/h4-6,9-11,13-14,21H,7-8H2,1-3H3,(H,22,25)/t13-,14-/m0/s1
InChIKeySKQQGWDKWWFBGA-KBPBESRZSA-N
XLogP2.81
TPSA67.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(6-tert-butylimidazo[1,2-a]pyrazin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine?
The IUPAC name of 3-(6-tert-butylimidazo[1,2-a]pyrazin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine (CID 175957967) is 3-(6-tert-butylimidazo[1,2-a]pyrazin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine.
What is the SMILES notation for 3-(6-tert-butylimidazo[1,2-a]pyrazin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine?
The canonical SMILES for 3-(6-tert-butylimidazo[1,2-a]pyrazin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine is CC(C)(C)c1cn2c(-c3cccnc3N[C@H]3CNC[C@@H]3F)cnc2cn1.
What is the InChIKey of 3-(6-tert-butylimidazo[1,2-a]pyrazin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine?
The InChIKey is SKQQGWDKWWFBGA-KBPBESRZSA-N. The full InChI is InChI=1S/C19H23FN6/c1-19(2,3)16-11-26-15(9-24-17(26)10-23-16)12-5-4-6-22-18(12)25-14-8-21-7-13(14)20/h4-6,9-11,13-14,21H,7-8H2,1-3H3,(H,22,25)/t13-,14-/m0/s1.
What are the key properties of 3-(6-tert-butylimidazo[1,2-a]pyrazin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine?
3-(6-tert-butylimidazo[1,2-a]pyrazin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine has a molecular weight of 354.43 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-tert-butylimidazo[1,2-a]pyrazin-3-yl)-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine is sourced from PubChem (CID 175957967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).