[(8R)-4-amino-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-8-yl]-tert-butylcarbamic acid

C24H26N6O2 — CID 121293422

IUPAC[(8R)-4-amino-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-8-yl]-tert-butylcarbamic acid
SMILESCC(C)(C)N(C(=O)O)[C@@H]1CCc2c(-c3cnc4ccccc4c3)c3c(N)ncnc3n2C1
InChIInChI=1S/C24H26N6O2/c1-24(2,3)30(23(31)32)16-8-9-18-19(15-10-14-6-4-5-7-17(14)26-11-15)20-21(25)27-13-28-22(20)29(18)12-16/h4-7,10-11,13,16H,8-9,12H2,1-3H3,(H,31,32)(H2,25,27,28)/t16-/m1/s1
InChIKeyGVCHXICHYUPPOC-MRXNPFEDSA-N
MW430.51 g/mol
LogP4.32
Rot. Bonds2

About [(8R)-4-amino-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-8-yl]-tert-butylcarbamic acid

[(8R)-4-amino-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-8-yl]-tert-butylcarbamic acid (PubChem CID 121293422) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is [(8R)-4-amino-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-8-yl]-tert-butylcarbamic acid.

Molecular Properties

Compound Name[(8R)-4-amino-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-8-yl]-tert-butylcarbamic acid
PubChem CID121293422
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name[(8R)-4-amino-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-8-yl]-tert-butylcarbamic acid
SMILESCC(C)(C)N(C(=O)O)[C@@H]1CCc2c(-c3cnc4ccccc4c3)c3c(N)ncnc3n2C1
InChIInChI=1S/C24H26N6O2/c1-24(2,3)30(23(31)32)16-8-9-18-19(15-10-14-6-4-5-7-17(14)26-11-15)20-21(25)27-13-28-22(20)29(18)12-16/h4-7,10-11,13,16H,8-9,12H2,1-3H3,(H,31,32)(H2,25,27,28)/t16-/m1/s1
InChIKeyGVCHXICHYUPPOC-MRXNPFEDSA-N
XLogP4.32
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(8R)-4-amino-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-8-yl]-tert-butylcarbamic acid?
The IUPAC name of [(8R)-4-amino-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-8-yl]-tert-butylcarbamic acid (CID 121293422) is [(8R)-4-amino-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-8-yl]-tert-butylcarbamic acid.
What is the SMILES notation for [(8R)-4-amino-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-8-yl]-tert-butylcarbamic acid?
The canonical SMILES for [(8R)-4-amino-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-8-yl]-tert-butylcarbamic acid is CC(C)(C)N(C(=O)O)[C@@H]1CCc2c(-c3cnc4ccccc4c3)c3c(N)ncnc3n2C1.
What is the InChIKey of [(8R)-4-amino-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-8-yl]-tert-butylcarbamic acid?
The InChIKey is GVCHXICHYUPPOC-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-24(2,3)30(23(31)32)16-8-9-18-19(15-10-14-6-4-5-7-17(14)26-11-15)20-21(25)27-13-28-22(20)29(18)12-16/h4-7,10-11,13,16H,8-9,12H2,1-3H3,(H,31,32)(H2,25,27,28)/t16-/m1/s1.
What are the key properties of [(8R)-4-amino-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-8-yl]-tert-butylcarbamic acid?
[(8R)-4-amino-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-8-yl]-tert-butylcarbamic acid has a molecular weight of 430.51 g/mol, XLogP of 4.32, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(8R)-4-amino-5-quinolin-3-yl-6,7,8,9-tetrahydropyrimido[5,4-b]indolizin-8-yl]-tert-butylcarbamic acid is sourced from PubChem (CID 121293422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).