N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-2-[2-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine

C27H31N9OS — CID 171430549

IUPACN-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-2-[2-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine
SMILESCc1cc(Nc2cc3nc(-c4ccnc(N5CCOC[C@H]5C)c4)sc3cn2)nc(N2C[C@@H]3C[C@H]2CN3C)n1
InChIInChI=1S/C27H31N9OS/c1-16-8-24(33-27(30-16)36-14-19-10-20(36)13-34(19)3)32-23-11-21-22(12-29-23)38-26(31-21)18-4-5-28-25(9-18)35-6-7-37-15-17(35)2/h4-5,8-9,11-12,17,19-20H,6-7,10,13-15H2,1-3H3,(H,29,30,32,33)/t17-,19+,20+/m1/s1
InChIKeyMIQGKDVZQKVEMR-HOJAQTOUSA-N
MW529.67 g/mol
LogP3.71
Rot. Bonds5

About N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-2-[2-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine

N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-2-[2-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine (PubChem CID 171430549) has the molecular formula C27H31N9OS and a molecular weight of 529.67 g/mol. Its IUPAC name is N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-2-[2-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine.

Molecular Properties

Compound NameN-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-2-[2-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine
PubChem CID171430549
Molecular FormulaC27H31N9OS
Molecular Weight529.67 g/mol
Exact Mass529.24
IUPAC NameN-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-2-[2-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine
SMILESCc1cc(Nc2cc3nc(-c4ccnc(N5CCOC[C@H]5C)c4)sc3cn2)nc(N2C[C@@H]3C[C@H]2CN3C)n1
InChIInChI=1S/C27H31N9OS/c1-16-8-24(33-27(30-16)36-14-19-10-20(36)13-34(19)3)32-23-11-21-22(12-29-23)38-26(31-21)18-4-5-28-25(9-18)35-6-7-37-15-17(35)2/h4-5,8-9,11-12,17,19-20H,6-7,10,13-15H2,1-3H3,(H,29,30,32,33)/t17-,19+,20+/m1/s1
InChIKeyMIQGKDVZQKVEMR-HOJAQTOUSA-N
XLogP3.71
TPSA95.43 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.67
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-2-[2-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-2-[2-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine?
The IUPAC name of N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-2-[2-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine (CID 171430549) is N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-2-[2-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine.
What is the SMILES notation for N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-2-[2-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine?
The canonical SMILES for N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-2-[2-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine is Cc1cc(Nc2cc3nc(-c4ccnc(N5CCOC[C@H]5C)c4)sc3cn2)nc(N2C[C@@H]3C[C@H]2CN3C)n1.
What is the InChIKey of N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-2-[2-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine?
The InChIKey is MIQGKDVZQKVEMR-HOJAQTOUSA-N. The full InChI is InChI=1S/C27H31N9OS/c1-16-8-24(33-27(30-16)36-14-19-10-20(36)13-34(19)3)32-23-11-21-22(12-29-23)38-26(31-21)18-4-5-28-25(9-18)35-6-7-37-15-17(35)2/h4-5,8-9,11-12,17,19-20H,6-7,10,13-15H2,1-3H3,(H,29,30,32,33)/t17-,19+,20+/m1/s1.
What are the key properties of N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-2-[2-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine?
N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-2-[2-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine has a molecular weight of 529.67 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-2-[2-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine is sourced from PubChem (CID 171430549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).