1-(1H-indazol-4-yl)-3-(8-piperidin-1-yl-3,4-dihydro-2H-chromen-4-yl)urea

C22H25N5O2 — CID 11718098

IUPAC1-(1H-indazol-4-yl)-3-(8-piperidin-1-yl-3,4-dihydro-2H-chromen-4-yl)urea
SMILESO=C(Nc1cccc2[nH]ncc12)NC1CCOc2c1cccc2N1CCCCC1
InChIInChI=1S/C22H25N5O2/c28-22(24-17-7-5-8-19-16(17)14-23-26-19)25-18-10-13-29-21-15(18)6-4-9-20(21)27-11-2-1-3-12-27/h4-9,14,18H,1-3,10-13H2,(H,23,26)(H2,24,25,28)
InChIKeyBWUZDTXKQFBCBM-UHFFFAOYSA-N
MW391.48 g/mol
LogP4.20
Rot. Bonds3

About 1-(1H-indazol-4-yl)-3-(8-piperidin-1-yl-3,4-dihydro-2H-chromen-4-yl)urea

1-(1H-indazol-4-yl)-3-(8-piperidin-1-yl-3,4-dihydro-2H-chromen-4-yl)urea (PubChem CID 11718098) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 1-(1H-indazol-4-yl)-3-(8-piperidin-1-yl-3,4-dihydro-2H-chromen-4-yl)urea.

Molecular Properties

Compound Name1-(1H-indazol-4-yl)-3-(8-piperidin-1-yl-3,4-dihydro-2H-chromen-4-yl)urea
PubChem CID11718098
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name1-(1H-indazol-4-yl)-3-(8-piperidin-1-yl-3,4-dihydro-2H-chromen-4-yl)urea
SMILESO=C(Nc1cccc2[nH]ncc12)NC1CCOc2c1cccc2N1CCCCC1
InChIInChI=1S/C22H25N5O2/c28-22(24-17-7-5-8-19-16(17)14-23-26-19)25-18-10-13-29-21-15(18)6-4-9-20(21)27-11-2-1-3-12-27/h4-9,14,18H,1-3,10-13H2,(H,23,26)(H2,24,25,28)
InChIKeyBWUZDTXKQFBCBM-UHFFFAOYSA-N
XLogP4.20
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-4-yl)-3-(8-piperidin-1-yl-3,4-dihydro-2H-chromen-4-yl)urea?
The IUPAC name of 1-(1H-indazol-4-yl)-3-(8-piperidin-1-yl-3,4-dihydro-2H-chromen-4-yl)urea (CID 11718098) is 1-(1H-indazol-4-yl)-3-(8-piperidin-1-yl-3,4-dihydro-2H-chromen-4-yl)urea.
What is the SMILES notation for 1-(1H-indazol-4-yl)-3-(8-piperidin-1-yl-3,4-dihydro-2H-chromen-4-yl)urea?
The canonical SMILES for 1-(1H-indazol-4-yl)-3-(8-piperidin-1-yl-3,4-dihydro-2H-chromen-4-yl)urea is O=C(Nc1cccc2[nH]ncc12)NC1CCOc2c1cccc2N1CCCCC1.
What is the InChIKey of 1-(1H-indazol-4-yl)-3-(8-piperidin-1-yl-3,4-dihydro-2H-chromen-4-yl)urea?
The InChIKey is BWUZDTXKQFBCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c28-22(24-17-7-5-8-19-16(17)14-23-26-19)25-18-10-13-29-21-15(18)6-4-9-20(21)27-11-2-1-3-12-27/h4-9,14,18H,1-3,10-13H2,(H,23,26)(H2,24,25,28).
What are the key properties of 1-(1H-indazol-4-yl)-3-(8-piperidin-1-yl-3,4-dihydro-2H-chromen-4-yl)urea?
1-(1H-indazol-4-yl)-3-(8-piperidin-1-yl-3,4-dihydro-2H-chromen-4-yl)urea has a molecular weight of 391.48 g/mol, XLogP of 4.20, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-4-yl)-3-(8-piperidin-1-yl-3,4-dihydro-2H-chromen-4-yl)urea is sourced from PubChem (CID 11718098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).