(3-amino-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)methanol;8-chloroimidazo[1,2-a]pyrazine;1-(4-fluorophenyl)-N-[(3S)-3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;1-(4-fluorophenyl)pyrazole-3-carboxylic acid;(1-imidazo[1,2-a]pyrazin-8-yl-3-methylpyrrolidin-3-yl)methanol;methane;(3-methylpyrrolidin-3-yl)methanol;hydrochloride

C₆₈H₈₄Cl₂F₂N₂₂O₇ — CID 158620888

About (3-amino-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)methanol;8-chloroimidazo[1,2-a]pyrazine;1-(4-fluorophenyl)-N-[(3S)-3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;1-(4-fluorophenyl)pyrazole-3-carboxylic acid;(1-imidazo[1,2-a]pyrazin-8-yl-3-methylpyrrolidin-3-yl)methanol;methane;(3-methylpyrrolidin-3-yl)methanol;hydrochloride

(3-amino-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)methanol;8-chloroimidazo[1,2-a]pyrazine;1-(4-fluorophenyl)-N-[(3S)-3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;1-(4-fluorophenyl)pyrazole-3-carboxylic acid;(1-imidazo[1,2-a]pyrazin-8-yl-3-methylpyrrolidin-3-yl)methanol;methane;(3-methylpyrrolidin-3-yl)methanol;hydrochloride (PubChem CID 158620888) has the molecular formula C₆₈H₈₄Cl₂F₂N₂₂O₇ and a molecular weight of 1430.47 g/mol. Its IUPAC name is (3-amino-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)methanol;8-chloroimidazo[1,2-a]pyrazine;1-(4-fluorophenyl)-N-[(3S)-3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;1-(4-fluorophenyl)pyrazole-3-carboxylic acid;(1-imidazo[1,2-a]pyrazin-8-yl-3-methylpyrrolidin-3-yl)methanol;methane;(3-methylpyrrolidin-3-yl)methanol;hydrochloride.

Molecular Properties

• Compound Name: (3-amino-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)methanol;8-chloroimidazo[1,2-a]pyrazine;1-(4-fluorophenyl)-N-[(3S)-3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;1-(4-fluorophenyl)pyrazole-3-carboxylic acid;(1-imidazo[1,2-a]pyrazin-8-yl-3-methylpyrrolidin-3-yl)methanol;methane;(3-methylpyrrolidin-3-yl)methanol;hydrochloride
• PubChem CID: 158620888
• Molecular Formula: C₆₈H₈₄Cl₂F₂N₂₂O₇
• Molecular Weight: 1430.47 g/mol
• Exact Mass: 1428.62
• IUPAC Name: (3-amino-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)methanol;8-chloroimidazo[1,2-a]pyrazine;1-(4-fluorophenyl)-N-[(3S)-3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;1-(4-fluorophenyl)pyrazole-3-carboxylic acid;(1-imidazo[1,2-a]pyrazin-8-yl-3-methylpyrrolidin-3-yl)methanol;methane;(3-methylpyrrolidin-3-yl)methanol;hydrochloride
• SMILES: C.C.CC1(CO)CCN(c2nccn3ccnc23)C1.CC1(CO)CCNC1.Cl.Clc1nccn2ccnc12.NC1(CO)CCN(c2nccn3ccnc23)C1.O=C(N[C@@]1(CO)CCN(c2nccn3ccnc23)C1)c1ccn(-c2ccc(F)cc2)n1.O=C(O)c1ccn(-c2ccc(F)cc2)n1
• InChI: InChI=1S/C21H20FN7O2.C12H16N4O.C11H15N5O.C10H7FN2O2.C6H4ClN3.C6H13NO.2CH4.ClH/c22-15-1-3-16(4-2-15)29-9-5-17(26-29)20(31)25-21(14-30)6-10-28(13-21)19-18-23-7-11-27(18)12-8-24-19;1-12(9-17)2-5-16(8-12)11-10-13-3-6-15(10)7-4-14-11;12-11(8-17)1-4-16(7-11)10-9-13-2-5-15(9)6-3-14-10;11-7-1-3-8(4-2-7)13-6-5-9(12-13)10(14)15;7-5-6-9-2-4-10(6)3-1-8-5;1-6(5-8)2-3-7-4-6;;;/h1-5,7-9,11-12,30H,6,10,13-14H2,(H,25,31);3-4,6-7,17H,2,5,8-9H2,1H3;2-3,5-6,17H,1,4,7-8,12H2;1-6H,(H,14,15);1-4H;7-8H,2-5H2,1H3;2*1H4;1H/t21-;;;;;;;;/m0......../s1
• InChIKey: AYDILJVQAMRRLV-WSCDEDTISA-N
• XLogP: 6.76
• TPSA: 351.49 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 27
• Rotatable Bonds: 12
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1430.47
LogP ≤ 5	6.76
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of (3-amino-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)methanol;8-chloroimidazo[1,2-a]pyrazine;1-(4-fluorophenyl)-N-[(3S)-3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;1-(4-fluorophenyl)pyrazole-3-carboxylic acid;(1-imidazo[1,2-a]pyrazin-8-yl-3-methylpyrrolidin-3-yl)methanol;methane;(3-methylpyrrolidin-3-yl)methanol;hydrochloride?

The IUPAC name of (3-amino-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)methanol;8-chloroimidazo[1,2-a]pyrazine;1-(4-fluorophenyl)-N-[(3S)-3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;1-(4-fluorophenyl)pyrazole-3-carboxylic acid;(1-imidazo[1,2-a]pyrazin-8-yl-3-methylpyrrolidin-3-yl)methanol;methane;(3-methylpyrrolidin-3-yl)methanol;hydrochloride (CID 158620888) is (3-amino-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)methanol;8-chloroimidazo[1,2-a]pyrazine;1-(4-fluorophenyl)-N-[(3S)-3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;1-(4-fluorophenyl)pyrazole-3-carboxylic acid;(1-imidazo[1,2-a]pyrazin-8-yl-3-methylpyrrolidin-3-yl)methanol;methane;(3-methylpyrrolidin-3-yl)methanol;hydrochloride.

What is the SMILES notation for (3-amino-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)methanol;8-chloroimidazo[1,2-a]pyrazine;1-(4-fluorophenyl)-N-[(3S)-3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;1-(4-fluorophenyl)pyrazole-3-carboxylic acid;(1-imidazo[1,2-a]pyrazin-8-yl-3-methylpyrrolidin-3-yl)methanol;methane;(3-methylpyrrolidin-3-yl)methanol;hydrochloride?

The canonical SMILES for (3-amino-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)methanol;8-chloroimidazo[1,2-a]pyrazine;1-(4-fluorophenyl)-N-[(3S)-3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;1-(4-fluorophenyl)pyrazole-3-carboxylic acid;(1-imidazo[1,2-a]pyrazin-8-yl-3-methylpyrrolidin-3-yl)methanol;methane;(3-methylpyrrolidin-3-yl)methanol;hydrochloride is C.C.CC1(CO)CCN(c2nccn3ccnc23)C1.CC1(CO)CCNC1.Cl.Clc1nccn2ccnc12.NC1(CO)CCN(c2nccn3ccnc23)C1.O=C(N[C@@]1(CO)CCN(c2nccn3ccnc23)C1)c1ccn(-c2ccc(F)cc2)n1.O=C(O)c1ccn(-c2ccc(F)cc2)n1.

What is the InChIKey of (3-amino-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)methanol;8-chloroimidazo[1,2-a]pyrazine;1-(4-fluorophenyl)-N-[(3S)-3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;1-(4-fluorophenyl)pyrazole-3-carboxylic acid;(1-imidazo[1,2-a]pyrazin-8-yl-3-methylpyrrolidin-3-yl)methanol;methane;(3-methylpyrrolidin-3-yl)methanol;hydrochloride?

The InChIKey is AYDILJVQAMRRLV-WSCDEDTISA-N. The full InChI is InChI=1S/C21H20FN7O2.C12H16N4O.C11H15N5O.C10H7FN2O2.C6H4ClN3.C6H13NO.2CH4.ClH/c22-15-1-3-16(4-2-15)29-9-5-17(26-29)20(31)25-21(14-30)6-10-28(13-21)19-18-23-7-11-27(18)12-8-24-19;1-12(9-17)2-5-16(8-12)11-10-13-3-6-15(10)7-4-14-11;12-11(8-17)1-4-16(7-11)10-9-13-2-5-15(9)6-3-14-10;11-7-1-3-8(4-2-7)13-6-5-9(12-13)10(14)15;7-5-6-9-2-4-10(6)3-1-8-5;1-6(5-8)2-3-7-4-6;;;/h1-5,7-9,11-12,30H,6,10,13-14H2,(H,25,31);3-4,6-7,17H,2,5,8-9H2,1H3;2-3,5-6,17H,1,4,7-8,12H2;1-6H,(H,14,15);1-4H;7-8H,2-5H2,1H3;2*1H4;1H/t21-;;;;;;;;/m0......../s1.

What are the key properties of (3-amino-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)methanol;8-chloroimidazo[1,2-a]pyrazine;1-(4-fluorophenyl)-N-[(3S)-3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;1-(4-fluorophenyl)pyrazole-3-carboxylic acid;(1-imidazo[1,2-a]pyrazin-8-yl-3-methylpyrrolidin-3-yl)methanol;methane;(3-methylpyrrolidin-3-yl)methanol;hydrochloride?

(3-amino-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)methanol;8-chloroimidazo[1,2-a]pyrazine;1-(4-fluorophenyl)-N-[(3S)-3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;1-(4-fluorophenyl)pyrazole-3-carboxylic acid;(1-imidazo[1,2-a]pyrazin-8-yl-3-methylpyrrolidin-3-yl)methanol;methane;(3-methylpyrrolidin-3-yl)methanol;hydrochloride has a molecular weight of 1430.47 g/mol, XLogP of 6.76, 12 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for (3-amino-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)methanol;8-chloroimidazo[1,2-a]pyrazine;1-(4-fluorophenyl)-N-[(3S)-3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;1-(4-fluorophenyl)pyrazole-3-carboxylic acid;(1-imidazo[1,2-a]pyrazin-8-yl-3-methylpyrrolidin-3-yl)methanol;methane;(3-methylpyrrolidin-3-yl)methanol;hydrochloride is sourced from PubChem (CID 158620888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158620888 — identifiers, structure, computed properties (public domain)

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