(19R)-22-amino-3-(cyclopropylmethyl)-16-fluoro-N,N,10,19-tetramethyl-20-oxa-4,6,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,4,8,11,13(18),14,16,21,23-decaene-5-carboxamide

C28H30FN7O2 — CID 171529186

IUPAC(19R)-22-amino-3-(cyclopropylmethyl)-16-fluoro-N,N,10,19-tetramethyl-20-oxa-4,6,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,4,8,11,13(18),14,16,21,23-decaene-5-carboxamide
SMILESC[C@H]1Oc2cc(cnc2N)-c2c(CC3CC3)nc(C(=O)N(C)C)n2Cc2cn(C)nc2-c2ccc(F)cc21
InChIInChI=1S/C28H30FN7O2/c1-15-21-11-19(29)7-8-20(21)24-18(13-35(4)33-24)14-36-25(17-10-23(38-15)26(30)31-12-17)22(9-16-5-6-16)32-27(36)28(37)34(2)3/h7-8,10-13,15-16H,5-6,9,14H2,1-4H3,(H2,30,31)/t15-/m1/s1
InChIKeyHURDUHSLXKTGBI-OAHLLOKOSA-N
MW515.59 g/mol
LogP4.22
Rot. Bonds3

About (19R)-22-amino-3-(cyclopropylmethyl)-16-fluoro-N,N,10,19-tetramethyl-20-oxa-4,6,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,4,8,11,13(18),14,16,21,23-decaene-5-carboxamide

(19R)-22-amino-3-(cyclopropylmethyl)-16-fluoro-N,N,10,19-tetramethyl-20-oxa-4,6,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,4,8,11,13(18),14,16,21,23-decaene-5-carboxamide (PubChem CID 171529186) has the molecular formula C28H30FN7O2 and a molecular weight of 515.59 g/mol. Its IUPAC name is (19R)-22-amino-3-(cyclopropylmethyl)-16-fluoro-N,N,10,19-tetramethyl-20-oxa-4,6,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,4,8,11,13(18),14,16,21,23-decaene-5-carboxamide.

Molecular Properties

Compound Name(19R)-22-amino-3-(cyclopropylmethyl)-16-fluoro-N,N,10,19-tetramethyl-20-oxa-4,6,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,4,8,11,13(18),14,16,21,23-decaene-5-carboxamide
PubChem CID171529186
Molecular FormulaC28H30FN7O2
Molecular Weight515.59 g/mol
Exact Mass515.24
IUPAC Name(19R)-22-amino-3-(cyclopropylmethyl)-16-fluoro-N,N,10,19-tetramethyl-20-oxa-4,6,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,4,8,11,13(18),14,16,21,23-decaene-5-carboxamide
SMILESC[C@H]1Oc2cc(cnc2N)-c2c(CC3CC3)nc(C(=O)N(C)C)n2Cc2cn(C)nc2-c2ccc(F)cc21
InChIInChI=1S/C28H30FN7O2/c1-15-21-11-19(29)7-8-20(21)24-18(13-35(4)33-24)14-36-25(17-10-23(38-15)26(30)31-12-17)22(9-16-5-6-16)32-27(36)28(37)34(2)3/h7-8,10-13,15-16H,5-6,9,14H2,1-4H3,(H2,30,31)/t15-/m1/s1
InChIKeyHURDUHSLXKTGBI-OAHLLOKOSA-N
XLogP4.22
TPSA104.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.59
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (19R)-22-amino-3-(cyclopropylmethyl)-16-fluoro-N,N,10,19-tetramethyl-20-oxa-4,6,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,4,8,11,13(18),14,16,21,23-decaene-5-carboxamide 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 (19R)-22-amino-3-(cyclopropylmethyl)-16-fluoro-N,N,10,19-tetramethyl-20-oxa-4,6,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,4,8,11,13(18),14,16,21,23-decaene-5-carboxamide?
The IUPAC name of (19R)-22-amino-3-(cyclopropylmethyl)-16-fluoro-N,N,10,19-tetramethyl-20-oxa-4,6,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,4,8,11,13(18),14,16,21,23-decaene-5-carboxamide (CID 171529186) is (19R)-22-amino-3-(cyclopropylmethyl)-16-fluoro-N,N,10,19-tetramethyl-20-oxa-4,6,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,4,8,11,13(18),14,16,21,23-decaene-5-carboxamide.
What is the SMILES notation for (19R)-22-amino-3-(cyclopropylmethyl)-16-fluoro-N,N,10,19-tetramethyl-20-oxa-4,6,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,4,8,11,13(18),14,16,21,23-decaene-5-carboxamide?
The canonical SMILES for (19R)-22-amino-3-(cyclopropylmethyl)-16-fluoro-N,N,10,19-tetramethyl-20-oxa-4,6,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,4,8,11,13(18),14,16,21,23-decaene-5-carboxamide is C[C@H]1Oc2cc(cnc2N)-c2c(CC3CC3)nc(C(=O)N(C)C)n2Cc2cn(C)nc2-c2ccc(F)cc21.
What is the InChIKey of (19R)-22-amino-3-(cyclopropylmethyl)-16-fluoro-N,N,10,19-tetramethyl-20-oxa-4,6,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,4,8,11,13(18),14,16,21,23-decaene-5-carboxamide?
The InChIKey is HURDUHSLXKTGBI-OAHLLOKOSA-N. The full InChI is InChI=1S/C28H30FN7O2/c1-15-21-11-19(29)7-8-20(21)24-18(13-35(4)33-24)14-36-25(17-10-23(38-15)26(30)31-12-17)22(9-16-5-6-16)32-27(36)28(37)34(2)3/h7-8,10-13,15-16H,5-6,9,14H2,1-4H3,(H2,30,31)/t15-/m1/s1.
What are the key properties of (19R)-22-amino-3-(cyclopropylmethyl)-16-fluoro-N,N,10,19-tetramethyl-20-oxa-4,6,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,4,8,11,13(18),14,16,21,23-decaene-5-carboxamide?
(19R)-22-amino-3-(cyclopropylmethyl)-16-fluoro-N,N,10,19-tetramethyl-20-oxa-4,6,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,4,8,11,13(18),14,16,21,23-decaene-5-carboxamide has a molecular weight of 515.59 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (19R)-22-amino-3-(cyclopropylmethyl)-16-fluoro-N,N,10,19-tetramethyl-20-oxa-4,6,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,4,8,11,13(18),14,16,21,23-decaene-5-carboxamide is sourced from PubChem (CID 171529186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).