N-[1-[4-(cyclopropanecarbonylamino)phenyl]indazol-5-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide

C26H25N7O3 — CID 67686823

IUPACN-[1-[4-(cyclopropanecarbonylamino)phenyl]indazol-5-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESO=C(Nc1ccc2c(cnn2-c2ccc(NC(=O)C3CC3)cc2)c1)c1cnc(N2CCOCC2)nc1
InChIInChI=1S/C26H25N7O3/c34-24(17-1-2-17)30-20-3-6-22(7-4-20)33-23-8-5-21(13-18(23)16-29-33)31-25(35)19-14-27-26(28-15-19)32-9-11-36-12-10-32/h3-8,13-17H,1-2,9-12H2,(H,30,34)(H,31,35)
InChIKeyXSENZRCNQJNZAM-UHFFFAOYSA-N
MW483.53 g/mol
LogP3.25
Rot. Bonds6

About N-[1-[4-(cyclopropanecarbonylamino)phenyl]indazol-5-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide

N-[1-[4-(cyclopropanecarbonylamino)phenyl]indazol-5-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide (PubChem CID 67686823) has the molecular formula C26H25N7O3 and a molecular weight of 483.53 g/mol. Its IUPAC name is N-[1-[4-(cyclopropanecarbonylamino)phenyl]indazol-5-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(cyclopropanecarbonylamino)phenyl]indazol-5-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide
PubChem CID67686823
Molecular FormulaC26H25N7O3
Molecular Weight483.53 g/mol
Exact Mass483.20
IUPAC NameN-[1-[4-(cyclopropanecarbonylamino)phenyl]indazol-5-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESO=C(Nc1ccc2c(cnn2-c2ccc(NC(=O)C3CC3)cc2)c1)c1cnc(N2CCOCC2)nc1
InChIInChI=1S/C26H25N7O3/c34-24(17-1-2-17)30-20-3-6-22(7-4-20)33-23-8-5-21(13-18(23)16-29-33)31-25(35)19-14-27-26(28-15-19)32-9-11-36-12-10-32/h3-8,13-17H,1-2,9-12H2,(H,30,34)(H,31,35)
InChIKeyXSENZRCNQJNZAM-UHFFFAOYSA-N
XLogP3.25
TPSA114.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.53
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-(4-hydroxypiperidin-1-yl)-N-[1-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]indazol-5-yl]benzamide
CID 67112996
N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridine-4-carboxamide
CID 67114039
N-[1-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]phenyl]indazol-5-yl]-4-morpholin-4-ylbenzamide
CID 67113374
N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridazine-4-carboxamide
CID 67113553
N-[4-(5-hydroxyindazol-1-yl)phenyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 67113330
N-[4-[5-[[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzoyl]amino]indazol-1-yl]phenyl]thiophene-2-carboxamide
CID 67113281
4-methyl-N-[4-[5-(4-morpholin-4-ylanilino)indazol-1-yl]phenyl]-1,3-thiazole-5-carboxamide
CID 67113731
N-[1-[4-(cyclopropylmethylcarbamoyl)phenyl]indazol-5-yl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 67113684
N-(3-methylphenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 20959447
4-(4-hydroxypiperidin-1-yl)-N-[1-(4-indol-1-ylphenyl)indazol-5-yl]benzamide
CID 141334501
N-[1-[4-(3-cyclopropylpropanoyl)phenyl]indazol-5-yl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 147606537
N-[1-[4-(cyclopropanecarbonylamino)phenyl]indazol-5-yl]-4-[4-(2-hydroxyethyl)piperidin-1-yl]cyclohexa-2,4-diene-1-carboxamide
CID 163494566

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(cyclopropanecarbonylamino)phenyl]indazol-5-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[1-[4-(cyclopropanecarbonylamino)phenyl]indazol-5-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide (CID 67686823) is N-[1-[4-(cyclopropanecarbonylamino)phenyl]indazol-5-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[1-[4-(cyclopropanecarbonylamino)phenyl]indazol-5-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[1-[4-(cyclopropanecarbonylamino)phenyl]indazol-5-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide is O=C(Nc1ccc2c(cnn2-c2ccc(NC(=O)C3CC3)cc2)c1)c1cnc(N2CCOCC2)nc1.
What is the InChIKey of N-[1-[4-(cyclopropanecarbonylamino)phenyl]indazol-5-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
The InChIKey is XSENZRCNQJNZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O3/c34-24(17-1-2-17)30-20-3-6-22(7-4-20)33-23-8-5-21(13-18(23)16-29-33)31-25(35)19-14-27-26(28-15-19)32-9-11-36-12-10-32/h3-8,13-17H,1-2,9-12H2,(H,30,34)(H,31,35).
What are the key properties of N-[1-[4-(cyclopropanecarbonylamino)phenyl]indazol-5-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
N-[1-[4-(cyclopropanecarbonylamino)phenyl]indazol-5-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide has a molecular weight of 483.53 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(cyclopropanecarbonylamino)phenyl]indazol-5-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 67686823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).