1-(2-chloro-4-pyridinyl)-3-(1H-indazol-5-yl)urea

C13H10ClN5O — CID 150071160

IUPAC1-(2-chloro-4-pyridinyl)-3-(1H-indazol-5-yl)urea
SMILESO=C(Nc1ccnc(Cl)c1)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C13H10ClN5O/c14-12-6-10(3-4-15-12)18-13(20)17-9-1-2-11-8(5-9)7-16-19-11/h1-7H,(H,16,19)(H2,15,17,18,20)
InChIKeyDPHPFBCUBGZEOU-UHFFFAOYSA-N
MW287.71 g/mol
LogP3.26
Rot. Bonds2

About 1-(2-chloro-4-pyridinyl)-3-(1H-indazol-5-yl)urea

1-(2-chloro-4-pyridinyl)-3-(1H-indazol-5-yl)urea (PubChem CID 150071160) has the molecular formula C13H10ClN5O and a molecular weight of 287.71 g/mol. Its IUPAC name is 1-(2-chloro-4-pyridinyl)-3-(1H-indazol-5-yl)urea.

Molecular Properties

Compound Name1-(2-chloro-4-pyridinyl)-3-(1H-indazol-5-yl)urea
PubChem CID150071160
Molecular FormulaC13H10ClN5O
Molecular Weight287.71 g/mol
Exact Mass287.06
IUPAC Name1-(2-chloro-4-pyridinyl)-3-(1H-indazol-5-yl)urea
SMILESO=C(Nc1ccnc(Cl)c1)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C13H10ClN5O/c14-12-6-10(3-4-15-12)18-13(20)17-9-1-2-11-8(5-9)7-16-19-11/h1-7H,(H,16,19)(H2,15,17,18,20)
InChIKeyDPHPFBCUBGZEOU-UHFFFAOYSA-N
XLogP3.26
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dichlorophenyl)-3-(1H-indazol-5-yl)urea
CID 4607305
5,6-dichloro-N-(1H-indazol-5-yl)pyridine-3-carboxamide
CID 60712400
3-chloro-N-(1H-indazol-5-yl)propanamide
CID 17164503
1-(cyclopropylmethyl)-3-(1H-indazol-5-yl)urea
CID 166196110
2-hydroxyethyl N-(1H-indazol-5-yl)carbamate
CID 79346712
2-(2-chlorophenoxy)-N-(1H-indazol-5-yl)acetamide
CID 17165269
1-(2-chloro-4-pyridinyl)-3-(3,4,5-trifluorophenyl)urea
CID 150183067
1-[(1R,2S)-2-hydroxycyclohexyl]-3-(1H-indazol-5-yl)urea
CID 166286364
(E)-3-(4-chlorophenyl)-N-(1H-indazol-5-yl)prop-2-enamide
CID 17164818
3-chloro-N-(1H-indazol-5-yl)-4-iodobenzamide
CID 103221440
N-(1H-indazol-5-yl)-4-methylbenzamide
CID 17163732
2-ethyl-N-(1H-indazol-5-yl)butanamide
CID 17164523

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-pyridinyl)-3-(1H-indazol-5-yl)urea?
The IUPAC name of 1-(2-chloro-4-pyridinyl)-3-(1H-indazol-5-yl)urea (CID 150071160) is 1-(2-chloro-4-pyridinyl)-3-(1H-indazol-5-yl)urea.
What is the SMILES notation for 1-(2-chloro-4-pyridinyl)-3-(1H-indazol-5-yl)urea?
The canonical SMILES for 1-(2-chloro-4-pyridinyl)-3-(1H-indazol-5-yl)urea is O=C(Nc1ccnc(Cl)c1)Nc1ccc2[nH]ncc2c1.
What is the InChIKey of 1-(2-chloro-4-pyridinyl)-3-(1H-indazol-5-yl)urea?
The InChIKey is DPHPFBCUBGZEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5O/c14-12-6-10(3-4-15-12)18-13(20)17-9-1-2-11-8(5-9)7-16-19-11/h1-7H,(H,16,19)(H2,15,17,18,20).
What are the key properties of 1-(2-chloro-4-pyridinyl)-3-(1H-indazol-5-yl)urea?
1-(2-chloro-4-pyridinyl)-3-(1H-indazol-5-yl)urea has a molecular weight of 287.71 g/mol, XLogP of 3.26, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-pyridinyl)-3-(1H-indazol-5-yl)urea is sourced from PubChem (CID 150071160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).