1-[(1R)-1-(4-fluorophenyl)ethyl]-3-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea

C19H21FN6O2 — CID 118380937

IUPAC1-[(1R)-1-(4-fluorophenyl)ethyl]-3-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
SMILESC[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCOCC3)c2cn1)c1ccc(F)cc1
InChIInChI=1S/C19H21FN6O2/c1-12(13-2-4-14(20)5-3-13)22-19(27)23-17-10-16-15(11-21-17)18(25-24-16)26-6-8-28-9-7-26/h2-5,10-12H,6-9H2,1H3,(H,24,25)(H2,21,22,23,27)/t12-/m1/s1
InChIKeyKTMKSUODWWRPTO-GFCCVEGCSA-N
MW384.42 g/mol
LogP2.82
Rot. Bonds4

About 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea

1-[(1R)-1-(4-fluorophenyl)ethyl]-3-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea (PubChem CID 118380937) has the molecular formula C19H21FN6O2 and a molecular weight of 384.42 g/mol. Its IUPAC name is 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea.

Molecular Properties

Compound Name1-[(1R)-1-(4-fluorophenyl)ethyl]-3-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
PubChem CID118380937
Molecular FormulaC19H21FN6O2
Molecular Weight384.42 g/mol
Exact Mass384.17
IUPAC Name1-[(1R)-1-(4-fluorophenyl)ethyl]-3-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
SMILESC[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCOCC3)c2cn1)c1ccc(F)cc1
InChIInChI=1S/C19H21FN6O2/c1-12(13-2-4-14(20)5-3-13)22-19(27)23-17-10-16-15(11-21-17)18(25-24-16)26-6-8-28-9-7-26/h2-5,10-12H,6-9H2,1H3,(H,24,25)(H2,21,22,23,27)/t12-/m1/s1
InChIKeyKTMKSUODWWRPTO-GFCCVEGCSA-N
XLogP2.82
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
The IUPAC name of 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea (CID 118380937) is 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea.
What is the SMILES notation for 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
The canonical SMILES for 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea is C[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCOCC3)c2cn1)c1ccc(F)cc1.
What is the InChIKey of 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
The InChIKey is KTMKSUODWWRPTO-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H21FN6O2/c1-12(13-2-4-14(20)5-3-13)22-19(27)23-17-10-16-15(11-21-17)18(25-24-16)26-6-8-28-9-7-26/h2-5,10-12H,6-9H2,1H3,(H,24,25)(H2,21,22,23,27)/t12-/m1/s1.
What are the key properties of 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea has a molecular weight of 384.42 g/mol, XLogP of 2.82, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea is sourced from PubChem (CID 118380937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).