N,N-dimethyl-3-[6-[[6-methyl-2-[(1S,4S)-5-[[(3S)-oxolan-3-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide

C30H34N8O2S — CID 170725522

IUPACN,N-dimethyl-3-[6-[[6-methyl-2-[(1S,4S)-5-[[(3S)-oxolan-3-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide
SMILESCc1cc(Nc2cc3nc(-c4cccc(C(=O)N(C)C)c4)sc3cn2)nc(N2C[C@@H]3C[C@H]2CN3C[C@@H]2CCOC2)n1
InChIInChI=1S/C30H34N8O2S/c1-18-9-27(35-30(32-18)38-16-22-11-23(38)15-37(22)14-19-7-8-40-17-19)34-26-12-24-25(13-31-26)41-28(33-24)20-5-4-6-21(10-20)29(39)36(2)3/h4-6,9-10,12-13,19,22-23H,7-8,11,14-17H2,1-3H3,(H,31,32,34,35)/t19-,22-,23-/m0/s1
InChIKeyGPDLGAHUCRGKQH-VJBMBRPKSA-N
MW570.72 g/mol
LogP4.20
Rot. Bonds7

About N,N-dimethyl-3-[6-[[6-methyl-2-[(1S,4S)-5-[[(3S)-oxolan-3-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide

N,N-dimethyl-3-[6-[[6-methyl-2-[(1S,4S)-5-[[(3S)-oxolan-3-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide (PubChem CID 170725522) has the molecular formula C30H34N8O2S and a molecular weight of 570.72 g/mol. Its IUPAC name is N,N-dimethyl-3-[6-[[6-methyl-2-[(1S,4S)-5-[[(3S)-oxolan-3-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[6-[[6-methyl-2-[(1S,4S)-5-[[(3S)-oxolan-3-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide
PubChem CID170725522
Molecular FormulaC30H34N8O2S
Molecular Weight570.72 g/mol
Exact Mass570.25
IUPAC NameN,N-dimethyl-3-[6-[[6-methyl-2-[(1S,4S)-5-[[(3S)-oxolan-3-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide
SMILESCc1cc(Nc2cc3nc(-c4cccc(C(=O)N(C)C)c4)sc3cn2)nc(N2C[C@@H]3C[C@H]2CN3C[C@@H]2CCOC2)n1
InChIInChI=1S/C30H34N8O2S/c1-18-9-27(35-30(32-18)38-16-22-11-23(38)15-37(22)14-19-7-8-40-17-19)34-26-12-24-25(13-31-26)41-28(33-24)20-5-4-6-21(10-20)29(39)36(2)3/h4-6,9-10,12-13,19,22-23H,7-8,11,14-17H2,1-3H3,(H,31,32,34,35)/t19-,22-,23-/m0/s1
InChIKeyGPDLGAHUCRGKQH-VJBMBRPKSA-N
XLogP4.20
TPSA99.61 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.72
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N,N-dimethyl-3-[6-[[6-methyl-2-[(1S,4S)-5-[[(3S)-oxolan-3-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[6-[[6-methyl-2-[(1S,4S)-5-[[(3S)-oxolan-3-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide?
The IUPAC name of N,N-dimethyl-3-[6-[[6-methyl-2-[(1S,4S)-5-[[(3S)-oxolan-3-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide (CID 170725522) is N,N-dimethyl-3-[6-[[6-methyl-2-[(1S,4S)-5-[[(3S)-oxolan-3-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[6-[[6-methyl-2-[(1S,4S)-5-[[(3S)-oxolan-3-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide?
The canonical SMILES for N,N-dimethyl-3-[6-[[6-methyl-2-[(1S,4S)-5-[[(3S)-oxolan-3-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide is Cc1cc(Nc2cc3nc(-c4cccc(C(=O)N(C)C)c4)sc3cn2)nc(N2C[C@@H]3C[C@H]2CN3C[C@@H]2CCOC2)n1.
What is the InChIKey of N,N-dimethyl-3-[6-[[6-methyl-2-[(1S,4S)-5-[[(3S)-oxolan-3-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide?
The InChIKey is GPDLGAHUCRGKQH-VJBMBRPKSA-N. The full InChI is InChI=1S/C30H34N8O2S/c1-18-9-27(35-30(32-18)38-16-22-11-23(38)15-37(22)14-19-7-8-40-17-19)34-26-12-24-25(13-31-26)41-28(33-24)20-5-4-6-21(10-20)29(39)36(2)3/h4-6,9-10,12-13,19,22-23H,7-8,11,14-17H2,1-3H3,(H,31,32,34,35)/t19-,22-,23-/m0/s1.
What are the key properties of N,N-dimethyl-3-[6-[[6-methyl-2-[(1S,4S)-5-[[(3S)-oxolan-3-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide?
N,N-dimethyl-3-[6-[[6-methyl-2-[(1S,4S)-5-[[(3S)-oxolan-3-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide has a molecular weight of 570.72 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[6-[[6-methyl-2-[(1S,4S)-5-[[(3S)-oxolan-3-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide is sourced from PubChem (CID 170725522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).