(3R)-4-(cyclopropylmethyl)-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine

C16H20N4O — CID 71694177

IUPAC(3R)-4-(cyclopropylmethyl)-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine
SMILESc1cncc(-c2cnc([C@@H]3COCCN3CC3CC3)[nH]2)c1
InChIInChI=1S/C16H20N4O/c1-2-13(8-17-5-1)14-9-18-16(19-14)15-11-21-7-6-20(15)10-12-3-4-12/h1-2,5,8-9,12,15H,3-4,6-7,10-11H2,(H,18,19)/t15-/m0/s1
InChIKeyPTTYADXQGPTSII-HNNXBMFYSA-N
MW284.36 g/mol
LogP2.26
Rot. Bonds4

About (3R)-4-(cyclopropylmethyl)-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine

(3R)-4-(cyclopropylmethyl)-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine (PubChem CID 71694177) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is (3R)-4-(cyclopropylmethyl)-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine.

Molecular Properties

Compound Name(3R)-4-(cyclopropylmethyl)-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine
PubChem CID71694177
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name(3R)-4-(cyclopropylmethyl)-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine
SMILESc1cncc(-c2cnc([C@@H]3COCCN3CC3CC3)[nH]2)c1
InChIInChI=1S/C16H20N4O/c1-2-13(8-17-5-1)14-9-18-16(19-14)15-11-21-7-6-20(15)10-12-3-4-12/h1-2,5,8-9,12,15H,3-4,6-7,10-11H2,(H,18,19)/t15-/m0/s1
InChIKeyPTTYADXQGPTSII-HNNXBMFYSA-N
XLogP2.26
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-(cyclopropylmethyl)-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine?
The IUPAC name of (3R)-4-(cyclopropylmethyl)-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine (CID 71694177) is (3R)-4-(cyclopropylmethyl)-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine.
What is the SMILES notation for (3R)-4-(cyclopropylmethyl)-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine?
The canonical SMILES for (3R)-4-(cyclopropylmethyl)-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine is c1cncc(-c2cnc([C@@H]3COCCN3CC3CC3)[nH]2)c1.
What is the InChIKey of (3R)-4-(cyclopropylmethyl)-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine?
The InChIKey is PTTYADXQGPTSII-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-2-13(8-17-5-1)14-9-18-16(19-14)15-11-21-7-6-20(15)10-12-3-4-12/h1-2,5,8-9,12,15H,3-4,6-7,10-11H2,(H,18,19)/t15-/m0/s1.
What are the key properties of (3R)-4-(cyclopropylmethyl)-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine?
(3R)-4-(cyclopropylmethyl)-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine has a molecular weight of 284.36 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(cyclopropylmethyl)-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine is sourced from PubChem (CID 71694177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).