N-(3-fluoro-4-pyridinyl)-2-[4-[8-[[3-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-4,5-dihydro-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide

C27H31FN10O2S — CID 70970635

IUPACN-(3-fluoro-4-pyridinyl)-2-[4-[8-[[3-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-4,5-dihydro-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide
SMILESCOC[C@H]1CCCN1CC1=NSC(Nc2nc(C)cn3c(-c4cnn(CC(=O)Nc5ccncc5F)c4)cnc23)C1
InChIInChI=1S/C27H31FN10O2S/c1-17-12-38-23(18-9-31-37(13-18)15-24(39)33-22-5-6-29-10-21(22)28)11-30-27(38)26(32-17)34-25-8-19(35-41-25)14-36-7-3-4-20(36)16-40-2/h5-6,9-13,20,25H,3-4,7-8,14-16H2,1-2H3,(H,32,34)(H,29,33,39)/t20-,25?/m1/s1
InChIKeySBMQUVHHSHXOLX-VGOKPJQXSA-N
MW578.68 g/mol
LogP3.42
Rot. Bonds10

About N-(3-fluoro-4-pyridinyl)-2-[4-[8-[[3-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-4,5-dihydro-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide

N-(3-fluoro-4-pyridinyl)-2-[4-[8-[[3-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-4,5-dihydro-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide (PubChem CID 70970635) has the molecular formula C27H31FN10O2S and a molecular weight of 578.68 g/mol. Its IUPAC name is N-(3-fluoro-4-pyridinyl)-2-[4-[8-[[3-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-4,5-dihydro-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-pyridinyl)-2-[4-[8-[[3-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-4,5-dihydro-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide
PubChem CID70970635
Molecular FormulaC27H31FN10O2S
Molecular Weight578.68 g/mol
Exact Mass578.23
IUPAC NameN-(3-fluoro-4-pyridinyl)-2-[4-[8-[[3-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-4,5-dihydro-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide
SMILESCOC[C@H]1CCCN1CC1=NSC(Nc2nc(C)cn3c(-c4cnn(CC(=O)Nc5ccncc5F)c4)cnc23)C1
InChIInChI=1S/C27H31FN10O2S/c1-17-12-38-23(18-9-31-37(13-18)15-24(39)33-22-5-6-29-10-21(22)28)11-30-27(38)26(32-17)34-25-8-19(35-41-25)14-36-7-3-4-20(36)16-40-2/h5-6,9-13,20,25H,3-4,7-8,14-16H2,1-2H3,(H,32,34)(H,29,33,39)/t20-,25?/m1/s1
InChIKeySBMQUVHHSHXOLX-VGOKPJQXSA-N
XLogP3.42
TPSA126.86 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.68
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(3-fluoro-4-pyridinyl)-2-[4-[8-[[3-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-4,5-dihydro-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pyridinyl)-2-[4-[8-[[3-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-4,5-dihydro-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide?
The IUPAC name of N-(3-fluoro-4-pyridinyl)-2-[4-[8-[[3-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-4,5-dihydro-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide (CID 70970635) is N-(3-fluoro-4-pyridinyl)-2-[4-[8-[[3-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-4,5-dihydro-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(3-fluoro-4-pyridinyl)-2-[4-[8-[[3-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-4,5-dihydro-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide?
The canonical SMILES for N-(3-fluoro-4-pyridinyl)-2-[4-[8-[[3-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-4,5-dihydro-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide is COC[C@H]1CCCN1CC1=NSC(Nc2nc(C)cn3c(-c4cnn(CC(=O)Nc5ccncc5F)c4)cnc23)C1.
What is the InChIKey of N-(3-fluoro-4-pyridinyl)-2-[4-[8-[[3-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-4,5-dihydro-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide?
The InChIKey is SBMQUVHHSHXOLX-VGOKPJQXSA-N. The full InChI is InChI=1S/C27H31FN10O2S/c1-17-12-38-23(18-9-31-37(13-18)15-24(39)33-22-5-6-29-10-21(22)28)11-30-27(38)26(32-17)34-25-8-19(35-41-25)14-36-7-3-4-20(36)16-40-2/h5-6,9-13,20,25H,3-4,7-8,14-16H2,1-2H3,(H,32,34)(H,29,33,39)/t20-,25?/m1/s1.
What are the key properties of N-(3-fluoro-4-pyridinyl)-2-[4-[8-[[3-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-4,5-dihydro-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide?
N-(3-fluoro-4-pyridinyl)-2-[4-[8-[[3-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-4,5-dihydro-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide has a molecular weight of 578.68 g/mol, XLogP of 3.42, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-pyridinyl)-2-[4-[8-[[3-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-4,5-dihydro-1,2-thiazol-5-yl]amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide is sourced from PubChem (CID 70970635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).