3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide

C24H27N5O3 — CID 172540507

IUPAC3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CCC(C5)N6)ccc4C3)oc2n1
InChIInChI=1S/C24H27N5O3/c1-13-2-7-19-21(25)22(32-24(19)26-13)23(30)28-17-8-14-3-6-18(9-20(14)31-12-17)29-10-15-4-5-16(11-29)27-15/h2-3,6-7,9,15-17,27H,4-5,8,10-12,25H2,1H3,(H,28,30)/t15?,16?,17-/m1/s1
InChIKeyBLZNKOFYRPIUEP-OFLPRAFFSA-N
MW433.51 g/mol
LogP2.39
Rot. Bonds3

About 3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide

3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide (PubChem CID 172540507) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide
PubChem CID172540507
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CCC(C5)N6)ccc4C3)oc2n1
InChIInChI=1S/C24H27N5O3/c1-13-2-7-19-21(25)22(32-24(19)26-13)23(30)28-17-8-14-3-6-18(9-20(14)31-12-17)29-10-15-4-5-16(11-29)27-15/h2-3,6-7,9,15-17,27H,4-5,8,10-12,25H2,1H3,(H,28,30)/t15?,16?,17-/m1/s1
InChIKeyBLZNKOFYRPIUEP-OFLPRAFFSA-N
XLogP2.39
TPSA105.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide (CID 172540507) is 3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide is Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CCC(C5)N6)ccc4C3)oc2n1.
What is the InChIKey of 3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide?
The InChIKey is BLZNKOFYRPIUEP-OFLPRAFFSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-13-2-7-19-21(25)22(32-24(19)26-13)23(30)28-17-8-14-3-6-18(9-20(14)31-12-17)29-10-15-4-5-16(11-29)27-15/h2-3,6-7,9,15-17,27H,4-5,8,10-12,25H2,1H3,(H,28,30)/t15?,16?,17-/m1/s1.
What are the key properties of 3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide?
3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 2.39, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3,4-dihydro-2H-chromen-3-yl]-6-methylfuro[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 172540507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).