(14R,17R)-8-methyl-24-(methylamino)-5,13-dioxa-2,8,18,20,22,26-hexazahexacyclo[18.5.2.13,11.04,9.014,17.023,27]octacosa-1(26),3,9,11(28),21,23(27),24-heptaen-19-one

C22H25N7O3 — CID 177332094

IUPAC(14R,17R)-8-methyl-24-(methylamino)-5,13-dioxa-2,8,18,20,22,26-hexazahexacyclo[18.5.2.13,11.04,9.014,17.023,27]octacosa-1(26),3,9,11(28),21,23(27),24-heptaen-19-one
SMILESCNc1cc2nc3c1ncn3C(=O)N[C@@H]1CC[C@H]1OCc1cc(c3c(c1)N(C)CCO3)N2
InChIInChI=1S/C22H25N7O3/c1-23-14-9-18-25-15-7-12(8-16-20(15)31-6-5-28(16)2)10-32-17-4-3-13(17)26-22(30)29-11-24-19(14)21(29)27-18/h7-9,11,13,17H,3-6,10H2,1-2H3,(H,26,30)(H2,23,25,27)/t13-,17-/m1/s1
InChIKeyBKEQMCHOXVPTKR-CXAGYDPISA-N
MW435.49 g/mol
LogP2.66
Rot. Bonds1

About (14R,17R)-8-methyl-24-(methylamino)-5,13-dioxa-2,8,18,20,22,26-hexazahexacyclo[18.5.2.13,11.04,9.014,17.023,27]octacosa-1(26),3,9,11(28),21,23(27),24-heptaen-19-one

(14R,17R)-8-methyl-24-(methylamino)-5,13-dioxa-2,8,18,20,22,26-hexazahexacyclo[18.5.2.13,11.04,9.014,17.023,27]octacosa-1(26),3,9,11(28),21,23(27),24-heptaen-19-one (PubChem CID 177332094) has the molecular formula C22H25N7O3 and a molecular weight of 435.49 g/mol. Its IUPAC name is (14R,17R)-8-methyl-24-(methylamino)-5,13-dioxa-2,8,18,20,22,26-hexazahexacyclo[18.5.2.13,11.04,9.014,17.023,27]octacosa-1(26),3,9,11(28),21,23(27),24-heptaen-19-one.

Molecular Properties

Compound Name(14R,17R)-8-methyl-24-(methylamino)-5,13-dioxa-2,8,18,20,22,26-hexazahexacyclo[18.5.2.13,11.04,9.014,17.023,27]octacosa-1(26),3,9,11(28),21,23(27),24-heptaen-19-one
PubChem CID177332094
Molecular FormulaC22H25N7O3
Molecular Weight435.49 g/mol
Exact Mass435.20
IUPAC Name(14R,17R)-8-methyl-24-(methylamino)-5,13-dioxa-2,8,18,20,22,26-hexazahexacyclo[18.5.2.13,11.04,9.014,17.023,27]octacosa-1(26),3,9,11(28),21,23(27),24-heptaen-19-one
SMILESCNc1cc2nc3c1ncn3C(=O)N[C@@H]1CC[C@H]1OCc1cc(c3c(c1)N(C)CCO3)N2
InChIInChI=1S/C22H25N7O3/c1-23-14-9-18-25-15-7-12(8-16-20(15)31-6-5-28(16)2)10-32-17-4-3-13(17)26-22(30)29-11-24-19(14)21(29)27-18/h7-9,11,13,17H,3-6,10H2,1-2H3,(H,26,30)(H2,23,25,27)/t13-,17-/m1/s1
InChIKeyBKEQMCHOXVPTKR-CXAGYDPISA-N
XLogP2.66
TPSA105.57 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze (14R,17R)-8-methyl-24-(methylamino)-5,13-dioxa-2,8,18,20,22,26-hexazahexacyclo[18.5.2.13,11.04,9.014,17.023,27]octacosa-1(26),3,9,11(28),21,23(27),24-heptaen-19-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (14R,17R)-8-methyl-24-(methylamino)-5,13-dioxa-2,8,18,20,22,26-hexazahexacyclo[18.5.2.13,11.04,9.014,17.023,27]octacosa-1(26),3,9,11(28),21,23(27),24-heptaen-19-one?
The IUPAC name of (14R,17R)-8-methyl-24-(methylamino)-5,13-dioxa-2,8,18,20,22,26-hexazahexacyclo[18.5.2.13,11.04,9.014,17.023,27]octacosa-1(26),3,9,11(28),21,23(27),24-heptaen-19-one (CID 177332094) is (14R,17R)-8-methyl-24-(methylamino)-5,13-dioxa-2,8,18,20,22,26-hexazahexacyclo[18.5.2.13,11.04,9.014,17.023,27]octacosa-1(26),3,9,11(28),21,23(27),24-heptaen-19-one.
What is the SMILES notation for (14R,17R)-8-methyl-24-(methylamino)-5,13-dioxa-2,8,18,20,22,26-hexazahexacyclo[18.5.2.13,11.04,9.014,17.023,27]octacosa-1(26),3,9,11(28),21,23(27),24-heptaen-19-one?
The canonical SMILES for (14R,17R)-8-methyl-24-(methylamino)-5,13-dioxa-2,8,18,20,22,26-hexazahexacyclo[18.5.2.13,11.04,9.014,17.023,27]octacosa-1(26),3,9,11(28),21,23(27),24-heptaen-19-one is CNc1cc2nc3c1ncn3C(=O)N[C@@H]1CC[C@H]1OCc1cc(c3c(c1)N(C)CCO3)N2.
What is the InChIKey of (14R,17R)-8-methyl-24-(methylamino)-5,13-dioxa-2,8,18,20,22,26-hexazahexacyclo[18.5.2.13,11.04,9.014,17.023,27]octacosa-1(26),3,9,11(28),21,23(27),24-heptaen-19-one?
The InChIKey is BKEQMCHOXVPTKR-CXAGYDPISA-N. The full InChI is InChI=1S/C22H25N7O3/c1-23-14-9-18-25-15-7-12(8-16-20(15)31-6-5-28(16)2)10-32-17-4-3-13(17)26-22(30)29-11-24-19(14)21(29)27-18/h7-9,11,13,17H,3-6,10H2,1-2H3,(H,26,30)(H2,23,25,27)/t13-,17-/m1/s1.
What are the key properties of (14R,17R)-8-methyl-24-(methylamino)-5,13-dioxa-2,8,18,20,22,26-hexazahexacyclo[18.5.2.13,11.04,9.014,17.023,27]octacosa-1(26),3,9,11(28),21,23(27),24-heptaen-19-one?
(14R,17R)-8-methyl-24-(methylamino)-5,13-dioxa-2,8,18,20,22,26-hexazahexacyclo[18.5.2.13,11.04,9.014,17.023,27]octacosa-1(26),3,9,11(28),21,23(27),24-heptaen-19-one has a molecular weight of 435.49 g/mol, XLogP of 2.66, 1 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (14R,17R)-8-methyl-24-(methylamino)-5,13-dioxa-2,8,18,20,22,26-hexazahexacyclo[18.5.2.13,11.04,9.014,17.023,27]octacosa-1(26),3,9,11(28),21,23(27),24-heptaen-19-one is sourced from PubChem (CID 177332094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).