N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-6-methylnaphthalene-2-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;2-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide

C65H62N16O3S2 — CID 159411955

IUPACN-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-6-methylnaphthalene-2-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;2-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc2cc(C(=O)N[C@H]3CCN(c4nccn5ccnc45)C3)ccc2c1.Cc1ccccc1-c1nc(C(=O)N[C@H]2CCN(c3nccn4cccc34)C2)cs1.Cc1ccccc1-c1nc(C(=O)N[C@H]2CCN(c3nccn4ccnc34)C2)cs1
InChIInChI=1S/C22H21N5OS.C22H21N5O.C21H20N6OS/c1-15-5-2-3-6-17(15)22-25-18(14-29-22)21(28)24-16-8-11-27(13-16)20-19-7-4-10-26(19)12-9-23-20;1-15-2-3-17-13-18(5-4-16(17)12-15)22(28)25-19-6-9-27(14-19)21-20-23-7-10-26(20)11-8-24-21;1-14-4-2-3-5-16(14)21-25-17(13-29-21)20(28)24-15-6-9-27(12-15)19-18-22-7-10-26(18)11-8-23-19/h2-7,9-10,12,14,16H,8,11,13H2,1H3,(H,24,28);2-5,7-8,10-13,19H,6,9,14H2,1H3,(H,25,28);2-5,7-8,10-11,13,15H,6,9,12H2,1H3,(H,24,28)/t16-;19-;15-/m000/s1
InChIKeyLORMMSFUUXMZCH-MIUWWXKISA-N
MW1179.45 g/mol
LogP10.14
Rot. Bonds11

About N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-6-methylnaphthalene-2-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;2-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide

N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-6-methylnaphthalene-2-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;2-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide (PubChem CID 159411955) has the molecular formula C65H62N16O3S2 and a molecular weight of 1179.45 g/mol. Its IUPAC name is N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-6-methylnaphthalene-2-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;2-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-6-methylnaphthalene-2-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;2-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
PubChem CID159411955
Molecular FormulaC65H62N16O3S2
Molecular Weight1179.45 g/mol
Exact Mass1178.46
IUPAC NameN-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-6-methylnaphthalene-2-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;2-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc2cc(C(=O)N[C@H]3CCN(c4nccn5ccnc45)C3)ccc2c1.Cc1ccccc1-c1nc(C(=O)N[C@H]2CCN(c3nccn4cccc34)C2)cs1.Cc1ccccc1-c1nc(C(=O)N[C@H]2CCN(c3nccn4ccnc34)C2)cs1
InChIInChI=1S/C22H21N5OS.C22H21N5O.C21H20N6OS/c1-15-5-2-3-6-17(15)22-25-18(14-29-22)21(28)24-16-8-11-27(13-16)20-19-7-4-10-26(19)12-9-23-20;1-15-2-3-17-13-18(5-4-16(17)12-15)22(28)25-19-6-9-27(14-19)21-20-23-7-10-26(20)11-8-24-21;1-14-4-2-3-5-16(14)21-25-17(13-29-21)20(28)24-15-6-9-27(12-15)19-18-22-7-10-26(18)11-8-23-19/h2-7,9-10,12,14,16H,8,11,13H2,1H3,(H,24,28);2-5,7-8,10-13,19H,6,9,14H2,1H3,(H,25,28);2-5,7-8,10-11,13,15H,6,9,12H2,1H3,(H,24,28)/t16-;19-;15-/m000/s1
InChIKeyLORMMSFUUXMZCH-MIUWWXKISA-N
XLogP10.14
TPSA200.48 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds11
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001179.45
LogP ≤ 510.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-6-methylnaphthalene-2-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;2-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-6-methylnaphthalene-2-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;2-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-6-methylnaphthalene-2-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;2-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide (CID 159411955) is N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-6-methylnaphthalene-2-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;2-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-6-methylnaphthalene-2-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;2-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-6-methylnaphthalene-2-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;2-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide is Cc1ccc2cc(C(=O)N[C@H]3CCN(c4nccn5ccnc45)C3)ccc2c1.Cc1ccccc1-c1nc(C(=O)N[C@H]2CCN(c3nccn4cccc34)C2)cs1.Cc1ccccc1-c1nc(C(=O)N[C@H]2CCN(c3nccn4ccnc34)C2)cs1.
What is the InChIKey of N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-6-methylnaphthalene-2-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;2-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is LORMMSFUUXMZCH-MIUWWXKISA-N. The full InChI is InChI=1S/C22H21N5OS.C22H21N5O.C21H20N6OS/c1-15-5-2-3-6-17(15)22-25-18(14-29-22)21(28)24-16-8-11-27(13-16)20-19-7-4-10-26(19)12-9-23-20;1-15-2-3-17-13-18(5-4-16(17)12-15)22(28)25-19-6-9-27(14-19)21-20-23-7-10-26(20)11-8-24-21;1-14-4-2-3-5-16(14)21-25-17(13-29-21)20(28)24-15-6-9-27(12-15)19-18-22-7-10-26(18)11-8-23-19/h2-7,9-10,12,14,16H,8,11,13H2,1H3,(H,24,28);2-5,7-8,10-13,19H,6,9,14H2,1H3,(H,25,28);2-5,7-8,10-11,13,15H,6,9,12H2,1H3,(H,24,28)/t16-;19-;15-/m000/s1.
What are the key properties of N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-6-methylnaphthalene-2-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;2-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide?
N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-6-methylnaphthalene-2-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;2-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 1179.45 g/mol, XLogP of 10.14, 11 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-6-methylnaphthalene-2-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide;2-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 159411955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).