N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide

C20H24N6OS — CID 90192099

IUPACN-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide
SMILESCc1cn2cccc2c(N2CC[C@H](NC(=O)c3csc(N4CCCC4)n3)C2)n1
InChIInChI=1S/C20H24N6OS/c1-14-11-25-9-4-5-17(25)18(21-14)26-10-6-15(12-26)22-19(27)16-13-28-20(23-16)24-7-2-3-8-24/h4-5,9,11,13,15H,2-3,6-8,10,12H2,1H3,(H,22,27)/t15-/m0/s1
InChIKeyQPBLVDQETATWAN-HNNXBMFYSA-N
MW396.52 g/mol
LogP2.71
Rot. Bonds4

About N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide

N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide (PubChem CID 90192099) has the molecular formula C20H24N6OS and a molecular weight of 396.52 g/mol. Its IUPAC name is N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide
PubChem CID90192099
Molecular FormulaC20H24N6OS
Molecular Weight396.52 g/mol
Exact Mass396.17
IUPAC NameN-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide
SMILESCc1cn2cccc2c(N2CC[C@H](NC(=O)c3csc(N4CCCC4)n3)C2)n1
InChIInChI=1S/C20H24N6OS/c1-14-11-25-9-4-5-17(25)18(21-14)26-10-6-15(12-26)22-19(27)16-13-28-20(23-16)24-7-2-3-8-24/h4-5,9,11,13,15H,2-3,6-8,10,12H2,1H3,(H,22,27)/t15-/m0/s1
InChIKeyQPBLVDQETATWAN-HNNXBMFYSA-N
XLogP2.71
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide (CID 90192099) is N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide is Cc1cn2cccc2c(N2CC[C@H](NC(=O)c3csc(N4CCCC4)n3)C2)n1.
What is the InChIKey of N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide?
The InChIKey is QPBLVDQETATWAN-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24N6OS/c1-14-11-25-9-4-5-17(25)18(21-14)26-10-6-15(12-26)22-19(27)16-13-28-20(23-16)24-7-2-3-8-24/h4-5,9,11,13,15H,2-3,6-8,10,12H2,1H3,(H,22,27)/t15-/m0/s1.
What are the key properties of N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide?
N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide has a molecular weight of 396.52 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90192099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).