1-cyclopropyl-3-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-4-yl]urea

C21H25N7O2 — CID 53236902

IUPAC1-cyclopropyl-3-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-4-yl]urea
SMILESO=C(Nc1ccnc2cc(-c3cnn(CCN4CCOCC4)c3)cnc12)NC1CC1
InChIInChI=1S/C21H25N7O2/c29-21(25-17-1-2-17)26-18-3-4-22-19-11-15(12-23-20(18)19)16-13-24-28(14-16)6-5-27-7-9-30-10-8-27/h3-4,11-14,17H,1-2,5-10H2,(H2,22,25,26,29)
InChIKeySLLDJVVLAQZWDU-UHFFFAOYSA-N
MW407.48 g/mol
LogP2.11
Rot. Bonds6

About 1-cyclopropyl-3-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-4-yl]urea

1-cyclopropyl-3-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-4-yl]urea (PubChem CID 53236902) has the molecular formula C21H25N7O2 and a molecular weight of 407.48 g/mol. Its IUPAC name is 1-cyclopropyl-3-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-4-yl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-4-yl]urea
PubChem CID53236902
Molecular FormulaC21H25N7O2
Molecular Weight407.48 g/mol
Exact Mass407.21
IUPAC Name1-cyclopropyl-3-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-4-yl]urea
SMILESO=C(Nc1ccnc2cc(-c3cnn(CCN4CCOCC4)c3)cnc12)NC1CC1
InChIInChI=1S/C21H25N7O2/c29-21(25-17-1-2-17)26-18-3-4-22-19-11-15(12-23-20(18)19)16-13-24-28(14-16)6-5-27-7-9-30-10-8-27/h3-4,11-14,17H,1-2,5-10H2,(H2,22,25,26,29)
InChIKeySLLDJVVLAQZWDU-UHFFFAOYSA-N
XLogP2.11
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-4-yl]urea?
The IUPAC name of 1-cyclopropyl-3-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-4-yl]urea (CID 53236902) is 1-cyclopropyl-3-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-4-yl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-4-yl]urea?
The canonical SMILES for 1-cyclopropyl-3-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-4-yl]urea is O=C(Nc1ccnc2cc(-c3cnn(CCN4CCOCC4)c3)cnc12)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-4-yl]urea?
The InChIKey is SLLDJVVLAQZWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O2/c29-21(25-17-1-2-17)26-18-3-4-22-19-11-15(12-23-20(18)19)16-13-24-28(14-16)6-5-27-7-9-30-10-8-27/h3-4,11-14,17H,1-2,5-10H2,(H2,22,25,26,29).
What are the key properties of 1-cyclopropyl-3-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-4-yl]urea?
1-cyclopropyl-3-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-4-yl]urea has a molecular weight of 407.48 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-4-yl]urea is sourced from PubChem (CID 53236902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).