N,N-dimethyl-1-[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-2-yl]piperidin-4-amine

C27H33N7OS — CID 169032630

IUPACN,N-dimethyl-1-[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-2-yl]piperidin-4-amine
SMILESCc1cccc(-c2ccn(-c3cc(N4CCOCC4)c4sc(N5CCC(N(C)C)CC5)nc4n3)n2)c1
InChIInChI=1S/C27H33N7OS/c1-19-5-4-6-20(17-19)22-9-12-34(30-22)24-18-23(32-13-15-35-16-14-32)25-26(28-24)29-27(36-25)33-10-7-21(8-11-33)31(2)3/h4-6,9,12,17-18,21H,7-8,10-11,13-16H2,1-3H3
InChIKeyCMFIMDYOOOUFRU-UHFFFAOYSA-N
MW503.68 g/mol
LogP4.22
Rot. Bonds5

About N,N-dimethyl-1-[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-2-yl]piperidin-4-amine

N,N-dimethyl-1-[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-2-yl]piperidin-4-amine (PubChem CID 169032630) has the molecular formula C27H33N7OS and a molecular weight of 503.68 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-2-yl]piperidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-2-yl]piperidin-4-amine
PubChem CID169032630
Molecular FormulaC27H33N7OS
Molecular Weight503.68 g/mol
Exact Mass503.25
IUPAC NameN,N-dimethyl-1-[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-2-yl]piperidin-4-amine
SMILESCc1cccc(-c2ccn(-c3cc(N4CCOCC4)c4sc(N5CCC(N(C)C)CC5)nc4n3)n2)c1
InChIInChI=1S/C27H33N7OS/c1-19-5-4-6-20(17-19)22-9-12-34(30-22)24-18-23(32-13-15-35-16-14-32)25-26(28-24)29-27(36-25)33-10-7-21(8-11-33)31(2)3/h4-6,9,12,17-18,21H,7-8,10-11,13-16H2,1-3H3
InChIKeyCMFIMDYOOOUFRU-UHFFFAOYSA-N
XLogP4.22
TPSA62.55 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.68
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N,N-dimethyl-1-[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-2-yl]piperidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-2-yl]piperidin-4-amine?
The IUPAC name of N,N-dimethyl-1-[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-2-yl]piperidin-4-amine (CID 169032630) is N,N-dimethyl-1-[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-2-yl]piperidin-4-amine.
What is the SMILES notation for N,N-dimethyl-1-[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-2-yl]piperidin-4-amine?
The canonical SMILES for N,N-dimethyl-1-[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-2-yl]piperidin-4-amine is Cc1cccc(-c2ccn(-c3cc(N4CCOCC4)c4sc(N5CCC(N(C)C)CC5)nc4n3)n2)c1.
What is the InChIKey of N,N-dimethyl-1-[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-2-yl]piperidin-4-amine?
The InChIKey is CMFIMDYOOOUFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7OS/c1-19-5-4-6-20(17-19)22-9-12-34(30-22)24-18-23(32-13-15-35-16-14-32)25-26(28-24)29-27(36-25)33-10-7-21(8-11-33)31(2)3/h4-6,9,12,17-18,21H,7-8,10-11,13-16H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-2-yl]piperidin-4-amine?
N,N-dimethyl-1-[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-2-yl]piperidin-4-amine has a molecular weight of 503.68 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-2-yl]piperidin-4-amine is sourced from PubChem (CID 169032630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).