5-[2-cyclopropyl-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]-3-[1-(1H-imidazol-2-yl)ethoxy]pyridin-2-amine

C22H25N7O2 — CID 134505791

IUPAC5-[2-cyclopropyl-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]-3-[1-(1H-imidazol-2-yl)ethoxy]pyridin-2-amine
SMILESCC(Oc1cc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(C3CC3)n2)cnc1N)c1ncc[nH]1
InChIInChI=1S/C22H25N7O2/c1-12(21-24-4-5-25-21)31-18-6-14(9-26-20(18)23)17-8-19(28-22(27-17)13-2-3-13)29-10-16-7-15(29)11-30-16/h4-6,8-9,12-13,15-16H,2-3,7,10-11H2,1H3,(H2,23,26)(H,24,25)/t12?,15-,16-/m0/s1
InChIKeyOPCMAMJEOGJKIK-KZMQIFKDSA-N
MW419.49 g/mol
LogP2.84
Rot. Bonds6

About 5-[2-cyclopropyl-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]-3-[1-(1H-imidazol-2-yl)ethoxy]pyridin-2-amine

5-[2-cyclopropyl-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]-3-[1-(1H-imidazol-2-yl)ethoxy]pyridin-2-amine (PubChem CID 134505791) has the molecular formula C22H25N7O2 and a molecular weight of 419.49 g/mol. Its IUPAC name is 5-[2-cyclopropyl-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]-3-[1-(1H-imidazol-2-yl)ethoxy]pyridin-2-amine.

Molecular Properties

Compound Name5-[2-cyclopropyl-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]-3-[1-(1H-imidazol-2-yl)ethoxy]pyridin-2-amine
PubChem CID134505791
Molecular FormulaC22H25N7O2
Molecular Weight419.49 g/mol
Exact Mass419.21
IUPAC Name5-[2-cyclopropyl-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]-3-[1-(1H-imidazol-2-yl)ethoxy]pyridin-2-amine
SMILESCC(Oc1cc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(C3CC3)n2)cnc1N)c1ncc[nH]1
InChIInChI=1S/C22H25N7O2/c1-12(21-24-4-5-25-21)31-18-6-14(9-26-20(18)23)17-8-19(28-22(27-17)13-2-3-13)29-10-16-7-15(29)11-30-16/h4-6,8-9,12-13,15-16H,2-3,7,10-11H2,1H3,(H2,23,26)(H,24,25)/t12?,15-,16-/m0/s1
InChIKeyOPCMAMJEOGJKIK-KZMQIFKDSA-N
XLogP2.84
TPSA115.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[2-cyclopropyl-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]-3-[1-(1H-imidazol-2-yl)ethoxy]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-cyclopropyl-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]-3-[1-(1H-imidazol-2-yl)ethoxy]pyridin-2-amine?
The IUPAC name of 5-[2-cyclopropyl-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]-3-[1-(1H-imidazol-2-yl)ethoxy]pyridin-2-amine (CID 134505791) is 5-[2-cyclopropyl-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]-3-[1-(1H-imidazol-2-yl)ethoxy]pyridin-2-amine.
What is the SMILES notation for 5-[2-cyclopropyl-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]-3-[1-(1H-imidazol-2-yl)ethoxy]pyridin-2-amine?
The canonical SMILES for 5-[2-cyclopropyl-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]-3-[1-(1H-imidazol-2-yl)ethoxy]pyridin-2-amine is CC(Oc1cc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(C3CC3)n2)cnc1N)c1ncc[nH]1.
What is the InChIKey of 5-[2-cyclopropyl-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]-3-[1-(1H-imidazol-2-yl)ethoxy]pyridin-2-amine?
The InChIKey is OPCMAMJEOGJKIK-KZMQIFKDSA-N. The full InChI is InChI=1S/C22H25N7O2/c1-12(21-24-4-5-25-21)31-18-6-14(9-26-20(18)23)17-8-19(28-22(27-17)13-2-3-13)29-10-16-7-15(29)11-30-16/h4-6,8-9,12-13,15-16H,2-3,7,10-11H2,1H3,(H2,23,26)(H,24,25)/t12?,15-,16-/m0/s1.
What are the key properties of 5-[2-cyclopropyl-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]-3-[1-(1H-imidazol-2-yl)ethoxy]pyridin-2-amine?
5-[2-cyclopropyl-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]-3-[1-(1H-imidazol-2-yl)ethoxy]pyridin-2-amine has a molecular weight of 419.49 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-cyclopropyl-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]-3-[1-(1H-imidazol-2-yl)ethoxy]pyridin-2-amine is sourced from PubChem (CID 134505791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).