1-[2-chloro-7-(1-cyclopropyl-2-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea

C20H19Cl2N9O2 — CID 127050487

IUPAC1-[2-chloro-7-(1-cyclopropyl-2-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea
SMILESCOCC(c1c(NC(=O)Nc2cnc(-n3nccn3)c(Cl)c2)cnc2cc(Cl)nn12)C1CC1
InChIInChI=1S/C20H19Cl2N9O2/c1-33-10-13(11-2-3-11)18-15(9-23-17-7-16(22)29-30(17)18)28-20(32)27-12-6-14(21)19(24-8-12)31-25-4-5-26-31/h4-9,11,13H,2-3,10H2,1H3,(H2,27,28,32)
InChIKeyZBPMJTCUOXGGGP-UHFFFAOYSA-N
MW488.34 g/mol
LogP3.80
Rot. Bonds7

About 1-[2-chloro-7-(1-cyclopropyl-2-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea

1-[2-chloro-7-(1-cyclopropyl-2-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea (PubChem CID 127050487) has the molecular formula C20H19Cl2N9O2 and a molecular weight of 488.34 g/mol. Its IUPAC name is 1-[2-chloro-7-(1-cyclopropyl-2-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-[2-chloro-7-(1-cyclopropyl-2-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea
PubChem CID127050487
Molecular FormulaC20H19Cl2N9O2
Molecular Weight488.34 g/mol
Exact Mass487.10
IUPAC Name1-[2-chloro-7-(1-cyclopropyl-2-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea
SMILESCOCC(c1c(NC(=O)Nc2cnc(-n3nccn3)c(Cl)c2)cnc2cc(Cl)nn12)C1CC1
InChIInChI=1S/C20H19Cl2N9O2/c1-33-10-13(11-2-3-11)18-15(9-23-17-7-16(22)29-30(17)18)28-20(32)27-12-6-14(21)19(24-8-12)31-25-4-5-26-31/h4-9,11,13H,2-3,10H2,1H3,(H2,27,28,32)
InChIKeyZBPMJTCUOXGGGP-UHFFFAOYSA-N
XLogP3.80
TPSA124.15 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.34
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-7-(1-cyclopropyl-2-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea?
The IUPAC name of 1-[2-chloro-7-(1-cyclopropyl-2-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea (CID 127050487) is 1-[2-chloro-7-(1-cyclopropyl-2-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea.
What is the SMILES notation for 1-[2-chloro-7-(1-cyclopropyl-2-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea?
The canonical SMILES for 1-[2-chloro-7-(1-cyclopropyl-2-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea is COCC(c1c(NC(=O)Nc2cnc(-n3nccn3)c(Cl)c2)cnc2cc(Cl)nn12)C1CC1.
What is the InChIKey of 1-[2-chloro-7-(1-cyclopropyl-2-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea?
The InChIKey is ZBPMJTCUOXGGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N9O2/c1-33-10-13(11-2-3-11)18-15(9-23-17-7-16(22)29-30(17)18)28-20(32)27-12-6-14(21)19(24-8-12)31-25-4-5-26-31/h4-9,11,13H,2-3,10H2,1H3,(H2,27,28,32).
What are the key properties of 1-[2-chloro-7-(1-cyclopropyl-2-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea?
1-[2-chloro-7-(1-cyclopropyl-2-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea has a molecular weight of 488.34 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-7-(1-cyclopropyl-2-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea is sourced from PubChem (CID 127050487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).