1-[4-chloro-3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylcyclopropyl)urea

C18H19ClN6O — CID 144598780

IUPAC1-[4-chloro-3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylcyclopropyl)urea
SMILESCCNc1n[nH]c2cc(NC(=O)NC3(c4ccccc4)CC3)nc(Cl)c12
InChIInChI=1S/C18H19ClN6O/c1-2-20-16-14-12(24-25-16)10-13(21-15(14)19)22-17(26)23-18(8-9-18)11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H2,20,24,25)(H2,21,22,23,26)
InChIKeyYKNSRTHXEKSFTB-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.85
Rot. Bonds5

About 1-[4-chloro-3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylcyclopropyl)urea

1-[4-chloro-3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylcyclopropyl)urea (PubChem CID 144598780) has the molecular formula C18H19ClN6O and a molecular weight of 370.84 g/mol. Its IUPAC name is 1-[4-chloro-3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylcyclopropyl)urea.

Molecular Properties

Compound Name1-[4-chloro-3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylcyclopropyl)urea
PubChem CID144598780
Molecular FormulaC18H19ClN6O
Molecular Weight370.84 g/mol
Exact Mass370.13
IUPAC Name1-[4-chloro-3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylcyclopropyl)urea
SMILESCCNc1n[nH]c2cc(NC(=O)NC3(c4ccccc4)CC3)nc(Cl)c12
InChIInChI=1S/C18H19ClN6O/c1-2-20-16-14-12(24-25-16)10-13(21-15(14)19)22-17(26)23-18(8-9-18)11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H2,20,24,25)(H2,21,22,23,26)
InChIKeyYKNSRTHXEKSFTB-UHFFFAOYSA-N
XLogP3.85
TPSA94.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylcyclopropyl)urea?
The IUPAC name of 1-[4-chloro-3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylcyclopropyl)urea (CID 144598780) is 1-[4-chloro-3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylcyclopropyl)urea.
What is the SMILES notation for 1-[4-chloro-3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylcyclopropyl)urea?
The canonical SMILES for 1-[4-chloro-3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylcyclopropyl)urea is CCNc1n[nH]c2cc(NC(=O)NC3(c4ccccc4)CC3)nc(Cl)c12.
What is the InChIKey of 1-[4-chloro-3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylcyclopropyl)urea?
The InChIKey is YKNSRTHXEKSFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6O/c1-2-20-16-14-12(24-25-16)10-13(21-15(14)19)22-17(26)23-18(8-9-18)11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H2,20,24,25)(H2,21,22,23,26).
What are the key properties of 1-[4-chloro-3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylcyclopropyl)urea?
1-[4-chloro-3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylcyclopropyl)urea has a molecular weight of 370.84 g/mol, XLogP of 3.85, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylcyclopropyl)urea is sourced from PubChem (CID 144598780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).