2-[(3-chloro-2H-indazol-5-yl)amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide

C15H14ClN7O — CID 58014871

IUPAC2-[(3-chloro-2H-indazol-5-yl)amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(Nc2ccc3n[nH]c(Cl)c3c2)nc1NC1CC1
InChIInChI=1S/C15H14ClN7O/c16-12-9-5-8(3-4-11(9)22-23-12)20-15-18-6-10(13(17)24)14(21-15)19-7-1-2-7/h3-7H,1-2H2,(H2,17,24)(H,22,23)(H2,18,19,20,21)
InChIKeyLFJBIFUYVPMIPU-UHFFFAOYSA-N
MW343.78 g/mol
LogP2.42
Rot. Bonds5

About 2-[(3-chloro-2H-indazol-5-yl)amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide

2-[(3-chloro-2H-indazol-5-yl)amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide (PubChem CID 58014871) has the molecular formula C15H14ClN7O and a molecular weight of 343.78 g/mol. Its IUPAC name is 2-[(3-chloro-2H-indazol-5-yl)amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(3-chloro-2H-indazol-5-yl)amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide
PubChem CID58014871
Molecular FormulaC15H14ClN7O
Molecular Weight343.78 g/mol
Exact Mass343.09
IUPAC Name2-[(3-chloro-2H-indazol-5-yl)amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(Nc2ccc3n[nH]c(Cl)c3c2)nc1NC1CC1
InChIInChI=1S/C15H14ClN7O/c16-12-9-5-8(3-4-11(9)22-23-12)20-15-18-6-10(13(17)24)14(21-15)19-7-1-2-7/h3-7H,1-2H2,(H2,17,24)(H,22,23)(H2,18,19,20,21)
InChIKeyLFJBIFUYVPMIPU-UHFFFAOYSA-N
XLogP2.42
TPSA121.61 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.78
LogP ≤ 52.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-(cyclopropylamino)-2-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide
CID 44594230
2-[4-(4-acetylpiperazin-1-yl)-3-chloroanilino]-4-(cyclopropylamino)pyrimidine-5-carboxamide
CID 44594939
4-(cyclobutylamino)-2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]pyrimidine-5-carboxamide
CID 153028738
2-[[1-(2-amino-2-oxoethyl)indazol-6-yl]amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide
CID 58014951
4-(cyclobutylamino)-2-(2,3,4,5-tetrahydro-1,5-benzoxazepin-7-ylamino)pyrimidine-5-carboxamide
CID 154949415
4-(cyclopropylamino)-2-[4-[methyl(propanoyl)amino]anilino]pyrimidine-5-carboxamide
CID 58014826
2-[4-(4-carbamoylpiperidin-1-yl)anilino]-4-(cyclopropylamino)pyrimidine-5-carboxamide
CID 58014896
4-[(4-aminocyclohexyl)amino]-2-(4-piperazin-1-ylanilino)pyrimidine-5-carboxamide
CID 44596071
4-(cyclobutylamino)-2-[4-(diethylamino)anilino]pyrimidine-5-carboxamide
CID 58014750
2-[4-[(3-amino-3-oxopropyl)-methylamino]anilino]-4-(cyclopropylamino)pyrimidine-5-carboxamide
CID 66792045
4-(cyclopropylamino)-2-[3-(1,2,4-triazol-1-yl)anilino]pyrimidine-5-carboxamide
CID 44540822
2-(cyclohexylamino)-4-(cyclopentylamino)pyrimidine-5-carboxamide
CID 71237540

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2H-indazol-5-yl)amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide?
The IUPAC name of 2-[(3-chloro-2H-indazol-5-yl)amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide (CID 58014871) is 2-[(3-chloro-2H-indazol-5-yl)amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(3-chloro-2H-indazol-5-yl)amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(3-chloro-2H-indazol-5-yl)amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide is NC(=O)c1cnc(Nc2ccc3n[nH]c(Cl)c3c2)nc1NC1CC1.
What is the InChIKey of 2-[(3-chloro-2H-indazol-5-yl)amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide?
The InChIKey is LFJBIFUYVPMIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN7O/c16-12-9-5-8(3-4-11(9)22-23-12)20-15-18-6-10(13(17)24)14(21-15)19-7-1-2-7/h3-7H,1-2H2,(H2,17,24)(H,22,23)(H2,18,19,20,21).
What are the key properties of 2-[(3-chloro-2H-indazol-5-yl)amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide?
2-[(3-chloro-2H-indazol-5-yl)amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide has a molecular weight of 343.78 g/mol, XLogP of 2.42, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2H-indazol-5-yl)amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 58014871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).