N,N,3-trimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide

C22H28N8O2S2 — CID 71197083

IUPACN,N,3-trimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide
SMILESCc1cc(Nc2nc([C@H]3CCCNC3)cn3c(-c4cnn(C)c4)cnc23)sc1S(=O)(=O)N(C)C
InChIInChI=1S/C22H28N8O2S2/c1-14-8-19(33-22(14)34(31,32)28(2)3)27-20-21-24-11-18(16-10-25-29(4)12-16)30(21)13-17(26-20)15-6-5-7-23-9-15/h8,10-13,15,23H,5-7,9H2,1-4H3,(H,26,27)/t15-/m0/s1
InChIKeyUYHGWCOAIRDTJL-HNNXBMFYSA-N
MW500.65 g/mol
LogP2.96
Rot. Bonds6

About N,N,3-trimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide

N,N,3-trimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide (PubChem CID 71197083) has the molecular formula C22H28N8O2S2 and a molecular weight of 500.65 g/mol. Its IUPAC name is N,N,3-trimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN,N,3-trimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide
PubChem CID71197083
Molecular FormulaC22H28N8O2S2
Molecular Weight500.65 g/mol
Exact Mass500.18
IUPAC NameN,N,3-trimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide
SMILESCc1cc(Nc2nc([C@H]3CCCNC3)cn3c(-c4cnn(C)c4)cnc23)sc1S(=O)(=O)N(C)C
InChIInChI=1S/C22H28N8O2S2/c1-14-8-19(33-22(14)34(31,32)28(2)3)27-20-21-24-11-18(16-10-25-29(4)12-16)30(21)13-17(26-20)15-6-5-7-23-9-15/h8,10-13,15,23H,5-7,9H2,1-4H3,(H,26,27)/t15-/m0/s1
InChIKeyUYHGWCOAIRDTJL-HNNXBMFYSA-N
XLogP2.96
TPSA109.45 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.65
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide?
The IUPAC name of N,N,3-trimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide (CID 71197083) is N,N,3-trimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide.
What is the SMILES notation for N,N,3-trimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide?
The canonical SMILES for N,N,3-trimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide is Cc1cc(Nc2nc([C@H]3CCCNC3)cn3c(-c4cnn(C)c4)cnc23)sc1S(=O)(=O)N(C)C.
What is the InChIKey of N,N,3-trimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide?
The InChIKey is UYHGWCOAIRDTJL-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H28N8O2S2/c1-14-8-19(33-22(14)34(31,32)28(2)3)27-20-21-24-11-18(16-10-25-29(4)12-16)30(21)13-17(26-20)15-6-5-7-23-9-15/h8,10-13,15,23H,5-7,9H2,1-4H3,(H,26,27)/t15-/m0/s1.
What are the key properties of N,N,3-trimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide?
N,N,3-trimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide has a molecular weight of 500.65 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethyl-5-[[3-(1-methylpyrazol-4-yl)-6-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfonamide is sourced from PubChem (CID 71197083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).