N-[1-[[4-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]carbamoyl]cyclopropyl]-1-methylpyrrole-3-carboxamide

C24H28N6O3S — CID 154668520

IUPACN-[1-[[4-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]carbamoyl]cyclopropyl]-1-methylpyrrole-3-carboxamide
SMILESC[C@@H]1CN(c2cccc(-c3csc(NC(=O)C4(NC(=O)c5ccn(C)c5)CC4)n3)n2)C[C@H](C)O1
InChIInChI=1S/C24H28N6O3S/c1-15-11-30(12-16(2)33-15)20-6-4-5-18(25-20)19-14-34-23(26-19)27-22(32)24(8-9-24)28-21(31)17-7-10-29(3)13-17/h4-7,10,13-16H,8-9,11-12H2,1-3H3,(H,28,31)(H,26,27,32)/t15-,16+
InChIKeyJJWSCRRMTRWGOK-IYBDPMFKSA-N
MW480.59 g/mol
LogP3.06
Rot. Bonds6

About N-[1-[[4-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]carbamoyl]cyclopropyl]-1-methylpyrrole-3-carboxamide

N-[1-[[4-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]carbamoyl]cyclopropyl]-1-methylpyrrole-3-carboxamide (PubChem CID 154668520) has the molecular formula C24H28N6O3S and a molecular weight of 480.59 g/mol. Its IUPAC name is N-[1-[[4-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]carbamoyl]cyclopropyl]-1-methylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[[4-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]carbamoyl]cyclopropyl]-1-methylpyrrole-3-carboxamide
PubChem CID154668520
Molecular FormulaC24H28N6O3S
Molecular Weight480.59 g/mol
Exact Mass480.19
IUPAC NameN-[1-[[4-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]carbamoyl]cyclopropyl]-1-methylpyrrole-3-carboxamide
SMILESC[C@@H]1CN(c2cccc(-c3csc(NC(=O)C4(NC(=O)c5ccn(C)c5)CC4)n3)n2)C[C@H](C)O1
InChIInChI=1S/C24H28N6O3S/c1-15-11-30(12-16(2)33-15)20-6-4-5-18(25-20)19-14-34-23(26-19)27-22(32)24(8-9-24)28-21(31)17-7-10-29(3)13-17/h4-7,10,13-16H,8-9,11-12H2,1-3H3,(H,28,31)(H,26,27,32)/t15-,16+
InChIKeyJJWSCRRMTRWGOK-IYBDPMFKSA-N
XLogP3.06
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[1-[[4-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]carbamoyl]cyclopropyl]-1-methylpyrrole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]carbamoyl]cyclopropyl]-1-methylpyrrole-3-carboxamide?
The IUPAC name of N-[1-[[4-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]carbamoyl]cyclopropyl]-1-methylpyrrole-3-carboxamide (CID 154668520) is N-[1-[[4-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]carbamoyl]cyclopropyl]-1-methylpyrrole-3-carboxamide.
What is the SMILES notation for N-[1-[[4-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]carbamoyl]cyclopropyl]-1-methylpyrrole-3-carboxamide?
The canonical SMILES for N-[1-[[4-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]carbamoyl]cyclopropyl]-1-methylpyrrole-3-carboxamide is C[C@@H]1CN(c2cccc(-c3csc(NC(=O)C4(NC(=O)c5ccn(C)c5)CC4)n3)n2)C[C@H](C)O1.
What is the InChIKey of N-[1-[[4-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]carbamoyl]cyclopropyl]-1-methylpyrrole-3-carboxamide?
The InChIKey is JJWSCRRMTRWGOK-IYBDPMFKSA-N. The full InChI is InChI=1S/C24H28N6O3S/c1-15-11-30(12-16(2)33-15)20-6-4-5-18(25-20)19-14-34-23(26-19)27-22(32)24(8-9-24)28-21(31)17-7-10-29(3)13-17/h4-7,10,13-16H,8-9,11-12H2,1-3H3,(H,28,31)(H,26,27,32)/t15-,16+.
What are the key properties of N-[1-[[4-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]carbamoyl]cyclopropyl]-1-methylpyrrole-3-carboxamide?
N-[1-[[4-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]carbamoyl]cyclopropyl]-1-methylpyrrole-3-carboxamide has a molecular weight of 480.59 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]carbamoyl]cyclopropyl]-1-methylpyrrole-3-carboxamide is sourced from PubChem (CID 154668520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).