N-[3-carbamoyl-1-[2-[[2-[[5-[3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazol-4-yl]-3-chloro-2-fluorophenyl]methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]morpholine-4-carboxamide

C49H52Cl2F2N12O9 — CID 138636308

IUPACN-[3-carbamoyl-1-[2-[[2-[[5-[3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazol-4-yl]-3-chloro-2-fluorophenyl]methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]morpholine-4-carboxamide
SMILESCC(C)N(CC(=O)NCc1cc(-c2cccc3c2c(C(N)=O)nn3CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)[C@H](C)CO)cc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(NC(=O)N3CCOCC3)ccc21
InChIInChI=1S/C49H52Cl2F2N12O9/c1-26(2)62(40(69)23-64-36-11-10-31(18-33(36)45(59-64)47(54)71)58-49(73)61-12-14-74-15-13-61)21-38(67)57-20-30-16-29(17-35(51)44(30)53)32-7-5-9-37-42(32)46(48(55)72)60-65(37)24-41(70)63(27(3)25-66)22-39(68)56-19-28-6-4-8-34(50)43(28)52/h4-11,16-18,26-27,66H,12-15,19-25H2,1-3H3,(H2,54,71)(H2,55,72)(H,56,68)(H,57,67)(H,58,73)/t27-/m1/s1
InChIKeyBIZBBDSKXFMCOH-HHHXNRCGSA-N
MW1061.93 g/mol
LogP3.78
Rot. Bonds19

About N-[3-carbamoyl-1-[2-[[2-[[5-[3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazol-4-yl]-3-chloro-2-fluorophenyl]methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]morpholine-4-carboxamide

N-[3-carbamoyl-1-[2-[[2-[[5-[3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazol-4-yl]-3-chloro-2-fluorophenyl]methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]morpholine-4-carboxamide (PubChem CID 138636308) has the molecular formula C49H52Cl2F2N12O9 and a molecular weight of 1061.93 g/mol. Its IUPAC name is N-[3-carbamoyl-1-[2-[[2-[[5-[3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazol-4-yl]-3-chloro-2-fluorophenyl]methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[3-carbamoyl-1-[2-[[2-[[5-[3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazol-4-yl]-3-chloro-2-fluorophenyl]methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]morpholine-4-carboxamide
PubChem CID138636308
Molecular FormulaC49H52Cl2F2N12O9
Molecular Weight1061.93 g/mol
Exact Mass1060.33
IUPAC NameN-[3-carbamoyl-1-[2-[[2-[[5-[3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazol-4-yl]-3-chloro-2-fluorophenyl]methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]morpholine-4-carboxamide
SMILESCC(C)N(CC(=O)NCc1cc(-c2cccc3c2c(C(N)=O)nn3CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)[C@H](C)CO)cc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(NC(=O)N3CCOCC3)ccc21
InChIInChI=1S/C49H52Cl2F2N12O9/c1-26(2)62(40(69)23-64-36-11-10-31(18-33(36)45(59-64)47(54)71)58-49(73)61-12-14-74-15-13-61)21-38(67)57-20-30-16-29(17-35(51)44(30)53)32-7-5-9-37-42(32)46(48(55)72)60-65(37)24-41(70)63(27(3)25-66)22-39(68)56-19-28-6-4-8-34(50)43(28)52/h4-11,16-18,26-27,66H,12-15,19-25H2,1-3H3,(H2,54,71)(H2,55,72)(H,56,68)(H,57,67)(H,58,73)/t27-/m1/s1
InChIKeyBIZBBDSKXFMCOH-HHHXNRCGSA-N
XLogP3.78
TPSA282.44 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds19
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001061.93
LogP ≤ 53.78
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Analyze N-[3-carbamoyl-1-[2-[[2-[[5-[3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazol-4-yl]-3-chloro-2-fluorophenyl]methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]morpholine-4-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 N-[3-carbamoyl-1-[2-[[2-[[5-[3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazol-4-yl]-3-chloro-2-fluorophenyl]methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]morpholine-4-carboxamide?
The IUPAC name of N-[3-carbamoyl-1-[2-[[2-[[5-[3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazol-4-yl]-3-chloro-2-fluorophenyl]methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]morpholine-4-carboxamide (CID 138636308) is N-[3-carbamoyl-1-[2-[[2-[[5-[3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazol-4-yl]-3-chloro-2-fluorophenyl]methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[3-carbamoyl-1-[2-[[2-[[5-[3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazol-4-yl]-3-chloro-2-fluorophenyl]methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[3-carbamoyl-1-[2-[[2-[[5-[3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazol-4-yl]-3-chloro-2-fluorophenyl]methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]morpholine-4-carboxamide is CC(C)N(CC(=O)NCc1cc(-c2cccc3c2c(C(N)=O)nn3CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)[C@H](C)CO)cc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(NC(=O)N3CCOCC3)ccc21.
What is the InChIKey of N-[3-carbamoyl-1-[2-[[2-[[5-[3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazol-4-yl]-3-chloro-2-fluorophenyl]methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]morpholine-4-carboxamide?
The InChIKey is BIZBBDSKXFMCOH-HHHXNRCGSA-N. The full InChI is InChI=1S/C49H52Cl2F2N12O9/c1-26(2)62(40(69)23-64-36-11-10-31(18-33(36)45(59-64)47(54)71)58-49(73)61-12-14-74-15-13-61)21-38(67)57-20-30-16-29(17-35(51)44(30)53)32-7-5-9-37-42(32)46(48(55)72)60-65(37)24-41(70)63(27(3)25-66)22-39(68)56-19-28-6-4-8-34(50)43(28)52/h4-11,16-18,26-27,66H,12-15,19-25H2,1-3H3,(H2,54,71)(H2,55,72)(H,56,68)(H,57,67)(H,58,73)/t27-/m1/s1.
What are the key properties of N-[3-carbamoyl-1-[2-[[2-[[5-[3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazol-4-yl]-3-chloro-2-fluorophenyl]methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]morpholine-4-carboxamide?
N-[3-carbamoyl-1-[2-[[2-[[5-[3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazol-4-yl]-3-chloro-2-fluorophenyl]methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]morpholine-4-carboxamide has a molecular weight of 1061.93 g/mol, XLogP of 3.78, 19 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-carbamoyl-1-[2-[[2-[[5-[3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]indazol-4-yl]-3-chloro-2-fluorophenyl]methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazol-5-yl]morpholine-4-carboxamide is sourced from PubChem (CID 138636308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).