1-[(1R)-1-phenylethyl]-3-[3-[(E)-prop-1-enyl]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea

C18H19N5O — CID 71554731

IUPAC1-[(1R)-1-phenylethyl]-3-[3-[(E)-prop-1-enyl]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
SMILESC/C=C/c1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12
InChIInChI=1S/C18H19N5O/c1-3-7-15-14-11-19-17(10-16(14)23-22-15)21-18(24)20-12(2)13-8-5-4-6-9-13/h3-12H,1-2H3,(H,22,23)(H2,19,20,21,24)/b7-3+/t12-/m1/s1
InChIKeyJKYHHYPCHQXPHZ-QDBLGGKGSA-N
MW321.38 g/mol
LogP3.87
Rot. Bonds4

About 1-[(1R)-1-phenylethyl]-3-[3-[(E)-prop-1-enyl]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea

1-[(1R)-1-phenylethyl]-3-[3-[(E)-prop-1-enyl]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea (PubChem CID 71554731) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-[(1R)-1-phenylethyl]-3-[3-[(E)-prop-1-enyl]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea.

Molecular Properties

Compound Name1-[(1R)-1-phenylethyl]-3-[3-[(E)-prop-1-enyl]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
PubChem CID71554731
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name1-[(1R)-1-phenylethyl]-3-[3-[(E)-prop-1-enyl]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
SMILESC/C=C/c1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12
InChIInChI=1S/C18H19N5O/c1-3-7-15-14-11-19-17(10-16(14)23-22-15)21-18(24)20-12(2)13-8-5-4-6-9-13/h3-12H,1-2H3,(H,22,23)(H2,19,20,21,24)/b7-3+/t12-/m1/s1
InChIKeyJKYHHYPCHQXPHZ-QDBLGGKGSA-N
XLogP3.87
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-phenylethyl]-3-[3-[(E)-prop-1-enyl]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The IUPAC name of 1-[(1R)-1-phenylethyl]-3-[3-[(E)-prop-1-enyl]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea (CID 71554731) is 1-[(1R)-1-phenylethyl]-3-[3-[(E)-prop-1-enyl]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea.
What is the SMILES notation for 1-[(1R)-1-phenylethyl]-3-[3-[(E)-prop-1-enyl]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The canonical SMILES for 1-[(1R)-1-phenylethyl]-3-[3-[(E)-prop-1-enyl]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea is C/C=C/c1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12.
What is the InChIKey of 1-[(1R)-1-phenylethyl]-3-[3-[(E)-prop-1-enyl]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The InChIKey is JKYHHYPCHQXPHZ-QDBLGGKGSA-N. The full InChI is InChI=1S/C18H19N5O/c1-3-7-15-14-11-19-17(10-16(14)23-22-15)21-18(24)20-12(2)13-8-5-4-6-9-13/h3-12H,1-2H3,(H,22,23)(H2,19,20,21,24)/b7-3+/t12-/m1/s1.
What are the key properties of 1-[(1R)-1-phenylethyl]-3-[3-[(E)-prop-1-enyl]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
1-[(1R)-1-phenylethyl]-3-[3-[(E)-prop-1-enyl]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea has a molecular weight of 321.38 g/mol, XLogP of 3.87, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-phenylethyl]-3-[3-[(E)-prop-1-enyl]-1H-pyrazolo[4,3-c]pyridin-6-yl]urea is sourced from PubChem (CID 71554731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).